# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-24T18:00:33+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 5 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
"1000355","5.935","0.006","10.282","0.002","13.368","0.013","90","","106.78","0.07","90","","781","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Copper(I) chromium hexathio-duo-diphosphate(IV)","","- Cr Cu P2 S6 -","- Cr Cu P2 S6 -","- Cr4 Cu4 P8 S24 -","4","2","","Maisonneuve, V; Cajipe, V B; Payen, C","Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice","Chemistry of Materials (1,1989-","1993","5","","758","760","10.1021/cm00030a006","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001710","5.4604","0.0003","5.5227","0.0003","12.2112","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.125","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001711","5.4606","0.0003","5.5228","0.0003","12.2112","0.0006","90","","90","","90","","368.3","","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001712","5.4604","0.0003","5.5227","0.0003","12.211","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","P 21 a m","P -2 2a","26","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004034","13.905","","9.952","","7.185","","90","","90","","90","","994.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium pentachloroaquaindate","","- Cl5 H2 In K2 O -","- Cl5 H2 In K2 O -","- Cl20 H8 In4 K8 O4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Barbier, P","Potassium pentachloroindate monohydrate, K~2~ (In Cl~5~, H~2~ O)","Crystal Structure Communications","1976","5","","293","296","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004060","10.411","0.008","7.055","0.003","9.461","0.005","90","","90","","90","","694.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nitrosyl tetrachloroaluminate","","- Al Cl4 N O -","- Al Cl4 N O -","- Al4 Cl16 N4 O4 -","4","0.5","","Barbier, P; Mairesse, G; Wignacourt, J P; Baert, F","Nitrosyl tetrachloroaluminate N O Al Cl~4~","Crystal Structure Communications","1976","5","","633","637","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008091","5.326","","5.602","","7.635","","90","","90","","90","","227.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Terbium iron(III) oxide","","- Fe O3 Tb -","- Fe O3 Tb -","- Fe4 O12 Tb4 -","4","0.5","","Bertaut, E F; Chappert, J; Mareschal, J; Rebouillat, J P; Sivardiere, J","Structures magnetiques de Tb Fe O~3~","Solid State Communications","1967","5","","293","298","10.1016/0038-1098(67)90276-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008112","6.142","0.006","3.437","0.004","11.55","0.01","90","","91.5","0.1","90","","243.7","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","NICKEL DIVANADIUM(III) SELENIDE","","- Ni Se4 V2 -","- Ni Se4 V2 -","- Ni2 Se8 V4 -","2","0.25","","Bouchard, R J; Robinson, W T; Wold, A","Structure and Properties of Nickel Vanadium Selenide, Ni V~2~ Ye~4~","Inorganic Chemistry","1966","5","","977","980","10.1021/ic50040a005","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008159","5.223","","5.516","","7.519","","90","","90","","90","","216.6","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Erbium chromium oxide","","- Cr Er O3 -","- Cr Er O3 -","- Cr4 Er4 O12 -","4","0.5","","Bertaut, E F; Mareschal, J","Etude de la Structure Magnetique des Chromites d'Erbium et de Neodyme par Diffraction Neutronique","Solid State Communications","1967","5","","93","97","10.1016/0038-1098(67)90001-4","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008160","5.425","","5.478","","7.694","","90","","90","","90","","228.7","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium chromium oxide","","- Cr Nd O3 -","- Cr Nd O3 -","- Cr4 Nd4 O12 -","4","0.5","","Bertaut, E F; Mareschal, J","Etude de la Structure Magnetique des Chromites d'Erbium et de Neodyme par Diffraction Neutronique","Solid State Communications","1967","5","","93","97","10.1016/0038-1098(67)90001-4","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008453","8.5271","0.0004","8.5271","0.0004","21.32","0.001","90","","90","","120","","1342.5","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Copper(I) dititanium tris(phosphate)","","- Cu O12 P3 Ti2 -","- Cu1.0002 O12 P3 Ti2 -","- Cu6.0012 O72 P18 Ti12 -","6","0.166667","","Mbandza, A; Bordes, E; Courtine, P; El Jazouli, A; Soubeyroux, J L; Le Flem, G; Hagenmueller, P","The Nasicon-type copper(I) titanium phosphate CuTi~2~(PO~4~)~3~: structure and chemical properties","Reactivity of Solids","1988","5","","315","321","10.1016/0168-7336(88)80030-5","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008535","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium manganese fluoride","","- F3 H4 Mn N -","- F3 H2 Mn N -","- F12 H8 Mn4 N4 -","4","0.5","","Laguna, M A; Sanjuan, M L; Orera, V M; Rubin, J; Palacios, E; Pique, M C; Bartolome, J; Berar, J F","X-ray and raman study of the low temperature NH~4~MnF~3~ structure;evidence of librational motion of the NH~4~^+^ ion","Journal of Physics: Condensed Matter","1993","5","","283","300","10.1088/0953-8984/5/3/005","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008600","8.802","","8.802","","12.737","","90","","90","","120","","854.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron nitride (2/17/3)","","- Fe17 N2.964 Th2 -","- Fe17 N2.964 Th2 -","- Fe51 N8.892 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008601","8.7653","","8.7653","","12.691","","90","","90","","120","","844.4","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron nitride (2/17/3)","","- Fe17 N2.964 Th2 -","- Fe17 N2.964 Th2 -","- Fe51 N8.892 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008602","8.7116","","8.7116","","12.624","","90","","90","","120","","829.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron deuteride (2/17/5)","","- D4.956 Fe17 Th2 -","- D4.956 Fe17 Th2 -","- D14.868 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008603","8.682","","8.682","","12.56","","90","","90","","120","","819.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron deuteride (2/17/4.7)","","- D4.668 Fe17 Th2 -","- D4.668 Fe17 Th2 -","- D14.004 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008604","8.7457","","8.7457","","12.65","","90","","90","","120","","837.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron carbide hydride (2/17/0.6/4.3)","","- Fe17 H4.272 Th2 -","- C0.624 H4.272 Fe17 Th2 -","- C1.872 H12.816 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.005","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008605","8.751","","8.751","","12.643","","90","","90","","120","","838.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Thorium iron carbide hydride (2/17/0.6/4.3)","","- Fe17 H4.284 Th2 -","- C0.588 H4.284 Fe17 Th2 -","- C1.764 H12.852 Fe51 Th6 -","3","0.0833333","","Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J","Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~","Journal of Physics: Condensed Matter","1993","5","","5481","5490","10.1088/0953-8984/5/31/012","","","","","","0.004","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008962","11.746","","11.746","","11.746","","90","","90","","90","","1620.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cobalt manganese antimonide (1/1/1)","","- Co Mn Sb -","- Co Mn Sb -","- Co32 Mn32 Sb32 -","32","0.166667","","Senateur, J P; Rouault, A; Fruchart, R","Structure and alloy chemistry of metastable Ge Sb","Journal of Solid State Chemistry","1972","5","","226","228","10.1016/0022-4596(72)90032-1","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009019","7.01","","12.142","","4.526","","90","","90","","90","","385.2","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","Chromium carbide (7/3)","","- C3 Cr7 -","- C3 Cr7 -","- C12 Cr28 -","4","0.5","","Rouault, M A; Herpin, P; Fruchart, M R","Etude cristallographique des carbures Cr7 C3 et Mn7 C3","Annales de Chimie (Paris) (Vol=Year)","1970","5","","461","470","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010151","6.26","","6.26","","18.2","","90","","90","","120","","617.7","","","","","","","","","","","","","2","P 3","P 3","143","","Chromium bromide","","- Br3 Cr -","- Br3 Cr -","- Br18 Cr6 -","6","2","","Braekken, H","Die Kristallstruktur von Chromtribromid","Kongelige Norske Videnskapers Selskab, Forhandlinger","1932","5","","42","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010521","7.76","","7.76","","7.76","","110.6","","110.6","","110.6","","343.9","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Potassium borate *","","- B3 K3 O6 -","- B3 K3 O6 -","- B6 K6 O12 -","2","0.166667","","Zachariasen, W H","The Crystal Structure of Potassium Metaborate K~3~ (B~3~ O~6~)","Journal of Chemical Physics","1937","5","","919","922","10.1063/1.1749962","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010601","7.89","","7.89","","7.89","","90","","90","","90","","491.2","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Hydrogenhydrazinium chloride","","- Cl2 H6 N2 -","- Cl2 H3 N2 -","- Cl8 H12 N8 -","4","0.166667","","Wyckoff, R W G","The Crystal Structure of Hydrazine Dihydrochloride","American Journal of Science, Serie 5(1,1921-1938)","1923","5","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010799","10.555","","15.42","","7.131","","90","","94.82","","90","","1156.5","","","","","","","","","","","","","5","","","","","Strontium tetracyanoplatinate(II) pentahydrate","","- H10 N4 O5 Pt Sr -","","","4","","","Brasseur, H; de Rassenfosse, A","Etude cristallographique du platinocyanure de strontium Sr Pt (C N)~4~ (H~2~ O)~5~","Bulletin de la Societe Royal des Sciences de Liege","1936","5","","123","129","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010976","7.137","0.004","7.137","0.004","7.295","0.005","90","","90","","120","","321.8","","","","","","","","","","","","from W. Cheyenne Canon, Colorado, USA","2","P 63 2 2","P 6c 2c","182","","Cerium fluoride","Fluocerite (Ce)","- Ce F3 -","- Ce F3 -","- Ce6 F18 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010983","7.176","0.004","7.176","0.004","7.344","0.007","90","","90","","120","","327.5","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Lanthanum fluoride","Fluocerite (La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010984","7.076","0.005","7.076","0.005","7.233","0.007","90","","90","","120","","313.6","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Praseodymium fluoride","Fluocerite (Pr)","- F3 Pr -","- F3 Pr -","- F18 Pr6 -","6","0.5","","Oftedal, P","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010985","7.034","0.004","7.034","0.004","7.211","0.005","90","","90","","120","","309","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Neodymium fluoride","Fluocerite (Nd)","- F3 Nd -","- F3 Nd -","- F18 Nd6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010986","6.99","","6.99","","7.16","","90","","90","","120","","303","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Samarium fluoride","Fluocerite (Sm)","- F3 Sm -","- F3 Sm -","- F18 Sm6 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011350","7.128","0.004","7.128","0.004","7.288","0.005","90","","90","","120","","320.7","","","","","","","","","","","","synthetic","2","P 63 2 2","P 6c 2c","182","","Cerium fluoride","Fluocerite (Ce)","- Ce F3 -","- Ce F3 -","- Ce6 F18 -","6","0.5","","Oftedal, I","Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","5","","272","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100098","5.254","0.002","5.254","0.002","12.971","0.007","90","","90","","90","","358.1","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Magnesium bis(sulfate(VI)) dihydroxide","Caminite","?","- H4 Mg3 O10 S2 -","- H8 Mg6 O20 S4 -","2","0.0625","","Yamnova, N A; Pushcharovskii, D Y; Apollonov, V N","","Vestnik Moskovskogo Universiteta, Geologiya","1989","5","","73","75","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100506","8.919","","15.543","0.001","21.796","0.001","90","","90","","90","","3021.54","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N O6 P -","- C36 H46 N O6 P -","- C144 H184 N4 O24 P4 -","4","1","","Breit, Bernhard; Dauber, Mario; Harms, Klaus","Substrate-Directed Diastereoselective Hydroformylation: Key Step for the Assembly of Polypropionate Subunits","Chemistry - A European Journal","1999","5","10","2819","2827","10.1002/(sici)1521-3765(19991001)5:10<2819::aid-chem2819>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177551","2020-10-21","18:00:00",""
"1501600","19.758","0.0012","10.8646","0.0007","36.649","0.002","90","","90.759","0.003","90","","7866.5","0.8","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P 1 2/c 1","-P 2yc","13","","","","- C136 H216 N30 O43 S4 -","- C80 H104 N30 O15 S4 -","- C160 H208 N60 O30 S8 -","2","0.5","","Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D.","Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks","Organic Letters","2003","5","25","4787","4790","10.1021/ol035712j","","","1.54178","CuKα","","0.1337","0.097","","","0.2195","0.2326","","","","","","1.041","","","","has coordinates,has disorder","219237","2020-10-21","18:00:00",""
"1501601","14.1959","0.0019","14.724","0.002","17.312","0.002","67.503","0.003","67.112","0.004","88.948","0.004","3043.6","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C54 H66 O21 S6 -","- C54 H66 O21 S6 -","- C108 H132 O42 S12 -","2","1","","Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D.","Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks","Organic Letters","2003","5","25","4787","4790","10.1021/ol035712j","","","1.54178","CuKα","","0.0929","0.0561","","","0.1391","0.1519","","","","","","1.038","","","","has coordinates,has disorder","219237","2020-10-21","18:00:00",""
"1506798","10.135","0.002","17.391","0.004","20.788","0.004","90","","98.25","0.03","90","","3626.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Al N2 O2 -","- C37 H57 Al N2 O2 -","- C148 H228 Al4 N8 O8 -","4","1","","Tang, Zhaohui; Chen, Xuesi; Pang, Xuan; Yang, Yongkun; Zhang, Xuefei; Jing, Xiabin","Stereoselective Polymerization ofrac-Lactide Using a Monoethylaluminum Schiff Base Complex","Biomacromolecules","2004","5","3","965","","10.1021/bm034467o","","","0.71073","MoKα","","0.1068","0.0524","","","0.1144","0.1232","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507246","9.46","0.002","12.892","0.003","15.324","0.003","90.929","0.005","104.42","0.005","110.95","0.004","1678.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 Cl4 O8 -","- C34 H36 Cl4 O8 -","- C68 H72 Cl8 O16 -","2","1","","Lai, Chun Wing; Lam, Chi Keung; Lee, Hung Kay; Mak, Thomas C. W.; Wong, Henry N. C.","Synthesis and studies of 1,4,5,8,9,12,13,16-octamethoxytetraphenylene.","Organic letters","2003","5","6","823","826","10.1021/ol020253s","","","0.71073","MoKα","","0.1297","0.0488","","","0.0887","0.1088","","","","","","0.805","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507247","10.111","0.002","10.227","0.002","17.082","0.004","90","","90","","90","","1766.4","0.6","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 F6 N O3 -","- C13 H17 F6 N O3 -","- C52 H68 F24 N4 O12 -","4","1","","Gierasch, Tiffany Malinky; Shi, Zhangjie; Verdine, Gregory L.","Extensively stereodiversified scaffolds for use in diversity-oriented library synthesis.","Organic letters","2003","5","5","621","624","10.1021/ol027116f","","","0.71073","MoKα","","0.0947","0.0749","","","0.2122","0.2263","","","","","","1.172","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507248","16.874","0.0003","11.5818","0.0002","28.0119","0.0005","90","","92.1412","0.0009","90","","5470.58","0.17","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H63 Cl8 N4 Pd2 -","- C49 H63 Cl8 N4 Pd2 -","- C196 H252 Cl32 N16 Pd8 -","4","1","","Jensen, David R.; Sigman, Matthew S.","Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight.","Organic letters","2003","5","1","63","65","10.1021/ol027190y","","","0.71073","MoKα","","0.1177","0.0552","","","0.1227","0.1478","","","","","","0.999","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507249","21.5844","0.0004","21.5844","0.0004","17.3692","0.0002","90","","90","","90","","8092.1","0.2","150","1","150","1","","","","","","","","5","P 41","P 4w","76","","","","- C84 H106 Cl4 N4 Pd2 -","- C84 H106 Cl4 N4 Pd2 -","- C336 H424 Cl16 N16 Pd8 -","4","1","","Jensen, David R.; Sigman, Matthew S.","Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight.","Organic letters","2003","5","1","63","65","10.1021/ol027190y","","","0.71073","MoKα","","0.0781","0.0486","","","0.1128","0.1283","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507250","11.7495","0.0016","15.552","0.003","8.5599","0.0011","90","","104.998","0.006","90","","1510.9","0.4","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Bode, Jeffrey W.; Hachisu, Yoshifumi; Matsuura, Tomoo; Suzuki, Keisuke","Facile construction and divergent transformation of polycyclic isoxazoles: direct access to polyketide architectures.","Organic letters","2003","5","4","391","394","10.1021/ol027283f","","","1.5418","CuKα","","0.0461","0.0451","","","0.1132","0.1145","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507251","6.6827","0.0004","9.04","0.0007","14.3503","0.0011","105.931","0.003","92.702","0.004","101.488","0.003","812.15","0.1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C40 H36 O10 -","2","1","","Bode, Jeffrey W.; Uesuka, Hidehiro; Suzuki, Keisuke","Isoxazole –> benzisoxazole rearrangement promoted cascade reactions affording stereodefined polycycles.","Organic letters","2003","5","4","395","398","10.1021/ol0272848","","","1.54178","CuKα","","0.0511","0.0414","","","0.1015","0.1079","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507252","9.063","0.005","13.131","0.005","15.261","0.005","113.873","0.005","90.212","0.005","107.698","0.005","1565.3","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","2","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71069","MoKα","","0.2498","0.1294","","","0.341","0.3832","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507253","7.865","0.006","13.066","0.005","15.129","0.008","96.77","0.04","92.87","0.03","94.62","0.07","1536.1","1.6","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H48 O10 -","- C30 H48 O10 -","- C60 H96 O20 -","2","1","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71069","MoKα","","0.2361","0.1105","","","0.1826","0.2332","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507254","14.909","0.0014","6.9573","0.0012","24.574","0.013","90","","90.77","0.03","90","","2548.7","1.4","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C104 H144 O48 -","8","1","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71069","MoKα","","0.152","0.0588","","","0.1065","0.1327","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507255","9.05","0.0004","12.963","0.0005","14.175","0.0007","107.348","0.002","91.91","0.002","102.552","0.002","1540.74","0.12","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H24 O5 -","- C15 H23.975 O5 -","- C60 H95.9 O20 -","4","2","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71073","MoKα","","0.1182","0.0721","","","0.1644","0.194","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507256","7.712","0.005","7.864","0.005","14.943","0.005","76.01","0.005","80.81","0.005","61.89","0.005","774.5","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C30 H44 O12 -","2","1","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71069","MoKα","","0.0793","0.0584","","","0.1522","0.1707","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507257","6.484","0.003","7.662","0.002","14.752","0.002","88.339","0.016","83.2","0.02","73.26","0.03","696.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C26 H44 O12 -","2","1","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71069","MoKα","","0.1014","0.0457","","","0.1134","0.1416","","","","","","0.89","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507258","8.681","0.003","7.913","0.002","8.884","0.003","90","","91.96","0.03","90","","609.9","0.3","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C11 H16 O5 -","- C11 H18 O6 -","- C22 H36 O12 -","2","1","","Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D","Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach.","Organic letters","2003","5","5","641","644","10.1021/ol027332o","","","0.71069","MoKα","","0.0405","0.0381","","","0.1012","0.1036","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507259","7.905","0.0016","11.582","0.002","12.2","0.002","90","","90","","90","","1117","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O S -","- C12 H15 N O S -","- C48 H60 N4 O4 S4 -","4","1","","Williams, Andrew J.; Chakthong, Suda; Gray, Diane; Lawrence, Ron M.; Gallagher, Timothy","1,2-cyclic sulfamidates as versatile precursors to thiomorpholines and piperazines.","Organic letters","2003","5","6","811","814","10.1021/ol027418h","","","0.71073","MoKα","","0.0378","0.0355","","","0.0833","0.0844","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507260","6.2563","0.0013","6.9299","0.0014","13.824","0.003","80.507","0.003","77.19","0.003","68.994","0.003","543.2","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","01348","","","- C25 H34 O3 -","- C25 H34 O3 -","- C25 H34 O3 -","1","1","","Demeke, Damtew; Forsyth, Craig J.","Total synthesis and stereochemistry of (-)-cacospongionolide F.","Organic letters","2003","5","7","991","994","10.1021/ol027438j","","","0.71073","MoKα","","0.0722","0.0547","","","0.1346","0.145","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507261","6.5605","0.001","11.482","0.002","14.249","0.002","90","","97.436","0.003","90","","1064.3","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","01347","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","","Demeke, Damtew; Forsyth, Craig J.","Total synthesis and stereochemistry of (-)-cacospongionolide F.","Organic letters","2003","5","7","991","994","10.1021/ol027438j","","","0.71073","MoKα","","0.0797","0.0625","","","0.161","0.1725","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507262","17.061","0.001","9.5641","0.0005","20.408","0.001","90","","113.818","0.001","90","","3046.4","0.3","155.2","","","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C26.5 H27 Cl1.5 F6 N O P2 Pd S -","- C26.5 H27 Cl1.5 F6 N O P2 Pd S -","- C106 H108 Cl6 F24 N4 O4 P8 Pd4 S4 -","4","2","","Schenkel, Laurie B.; Ellman, Jonathan A.","Novel sulfinyl imine ligands for asymmetric catalysis.","Organic letters","2003","5","4","545","548","10.1021/ol027468m","","","0.7107","MoKα","","","0.0446","","","","0.0517","","","","","","1.168","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507263","11.517","0.007","7.363","0.01","18.932","0.011","90","","97.29","0.06","90","","1592","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Br Cl N O2 -","- C16 H21 Br Cl N O2 -","- C64 H84 Br4 Cl4 N4 O8 -","4","1","","Reddy, P. Ganapati; Varghese, Babu; Baskaran, Sundarababu","Epoxide-initiated electrophilic cyclization of azides: a novel route for the stereoselective construction of azabicyclic ring systems and total synthesis of (+/-)-indolizidine 167B and 209D.","Organic letters","2003","5","4","583","585","10.1021/ol027563v","","","0.71073","MoKα","","0.1282","0.0542","","","0.1127","0.1268","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507264","11.32","0.02","5.801","0.005","11.58","0.02","90","","102.02","0.11","90","","744","2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C36 H32 O8 S2 -","2","1","","Clayden, Jonathan; Kenworthy, Martin N.; Helliwell, Madeleine","Dearomatizing cyclization of arylsulfonylalkoxymethyl lithiums: a route to the podophyllotoxin skeleton.","Organic letters","2003","5","6","831","834","10.1021/ol0340585","","","0.71069","MoKα","","0.0293","0.0288","","","0.0735","0.0741","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507265","11.9356","0.0015","6.2078","0.0008","11.9749","0.0015","90","","115.838","0.002","90","","798.57","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C38 H36 O8 S2 -","2","1","","Clayden, Jonathan; Kenworthy, Martin N.; Helliwell, Madeleine","Dearomatizing cyclization of arylsulfonylalkoxymethyl lithiums: a route to the podophyllotoxin skeleton.","Organic letters","2003","5","6","831","834","10.1021/ol0340585","","","0.71073","MoKα","","0.0392","0.0353","","","0.0804","0.0818","","","","","","0.976","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507266","9.2366","0.0005","10.0333","0.0007","13.871","0.001","90","","97.236","0.01","90","","1275.24","0.15","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O6 -","- C30 H35 N O6 -","- C60 H70 N2 O12 -","2","1","","Zhang, Yichao; Li, Chen; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T.; Dowd, Patrick F.","Novel antiinsectan oxalicine alkaloids from two undescribed fungicolous Penicillium spp.","Organic letters","2003","5","5","773","776","10.1021/ol0340686","","","0.71073","MoKα","","0.0548","0.04","","","0.0884","0.0952","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507267","10.8305","0.0001","11.1512","0.0002","13.633","0.0002","91.503","0.001","108.014","0.001","97.261","0.001","1549.51","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 N2 O3 Si -","- C33 H42 N2 O3 Si -","- C66 H84 N4 O6 Si2 -","2","1","","Gathergood, Nicholas; Scammells, Peter J.","Preparation of the 4-hydroxytryptamine scaffold via palladium-catalyzed cyclization: a practical and versatile synthesis of psilocin.","Organic letters","2003","5","6","921","923","10.1021/ol0341039","","x-ray","0.71073","MoKα","","0.0736","0.0415","","","0.0884","0.0966","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507268","11.805","0.0007","7.016","0.0005","15.317","0.001","90","","102.9","0.002","90","","1236.6","0.14","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H7 F15 N2 -","- C29 H7 F15 N2 -","- C58 H14 F30 N4 -","2","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.0908","0.054","","","0.1209","0.1426","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507269","25.451","0.0001","13.456","0.0002","28.128","0.0004","90","","90","","90","","9633","0.2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H26 Co F15 N5 P -","- C57 H26 Co F15 N5 P -","- C456 H208 Co8 F120 N40 P8 -","8","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.1135","0.0665","","","0.161","0.1854","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507270","10.6687","0.0002","26.9481","0.0007","19.4308","0.0004","90","","90.065","0.0018","90","","5586.4","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H14 F30 N6 -","- C66 H14 F30 N6 -","- C264 H56 F120 N24 -","4","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.1236","0.0512","","","0.0989","0.124","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507271","15.448","0.0003","10.944","0.0002","15.168","0.0003","90","","97.462","0.0009","90","","2542.63","0.08","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H5 F15 N2 O2 -","- C29 H5 F15 N2 O2 -","- C116 H20 F60 N8 O8 -","4","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.1086","0.0515","","","0.1118","0.1426","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507272","10.344","0.0003","13.684","0.0004","15.204","0.0005","101.462","0.0016","98.328","0.0017","105.56","0.002","1986.61","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H10 F20 N4 O2 -","- C44 H10 F20 N4 O2 -","- C88 H20 F40 N8 O4 -","2","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.1299","0.0746","","","0.1392","0.1709","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507273","10.1579","0.0008","10.7574","0.0008","16.195","0.002","90","","103.164","0.002","90","","1723.2","0.3","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Suga, Seiji; Nagaki, Aiichiro; Tsutsui, Yamato; Yoshida, Jun-Ichi","""N-acyliminium ion pool"" as a heterodiene in [4 + 2] cycloaddition reaction.","Organic letters","2003","5","6","945","947","10.1021/ol0341243","","","0.7107","MoKα","","","0.055","","","","0.112","","","","","","2.41","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507274","8.1422","0.0003","8.0756","0.0002","16.6229","0.0005","90","","94.155","0.001","90","","1090.14","0.06","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AL Compound 1","","","- C10 H17 O3 P -","- C10 H17 O3 P -","- C40 H68 O12 P4 -","4","1","","Adjabeng, George; Brenstrum, Tim; Wilson, Jeffrey; Frampton, Christopher; Robertson, Al; Hillhouse, John; McNulty, James; Capretta, Alfredo","Novel class of tertiary phosphine ligands based on a phospha-adamantane framework and use in the Suzuki cross-coupling reactions of aryl halides under mild conditions.","Organic letters","2003","5","6","953","955","10.1021/ol0341647","","","0.71073","MoKα","","0.0307","0.03","","","0.0838","0.0845","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507275","7.8551","0.0006","9.1866","0.0007","20.886","0.0017","90","","91.016","0.003","90","","1506.9","0.2","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenyl AL Compound 2","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C64 H84 O12 P4 -","4","1","","Adjabeng, George; Brenstrum, Tim; Wilson, Jeffrey; Frampton, Christopher; Robertson, Al; Hillhouse, John; McNulty, James; Capretta, Alfredo","Novel class of tertiary phosphine ligands based on a phospha-adamantane framework and use in the Suzuki cross-coupling reactions of aryl halides under mild conditions.","Organic letters","2003","5","6","953","955","10.1021/ol0341647","","","0.71073","MoKα","","0.0378","0.0348","","","0.0897","0.0918","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507276","7.4988","0.0006","28.084","0.002","8.2246","0.0006","90","","110.827","0.002","90","","1618.9","0.2","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenyl Methyl AL Compound 3","","","- C17 H23 O3 P -","- C17 H23 O3 P -","- C68 H92 O12 P4 -","4","1","","Adjabeng, George; Brenstrum, Tim; Wilson, Jeffrey; Frampton, Christopher; Robertson, Al; Hillhouse, John; McNulty, James; Capretta, Alfredo","Novel class of tertiary phosphine ligands based on a phospha-adamantane framework and use in the Suzuki cross-coupling reactions of aryl halides under mild conditions.","Organic letters","2003","5","6","953","955","10.1021/ol0341647","","","0.71073","MoKα","","0.0348","0.0336","","","0.0975","0.0986","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507277","9.6111","0.0009","14.6706","0.0011","13.4125","0.0006","90","","96.16","0.005","90","","1880.3","0.2","298","1","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl2 N3 O2 Pd S -","- C15 H19 Cl2 N3 O2 Pd S -","- C60 H76 Cl8 N12 O8 Pd4 S4 -","4","1","","Nájera, Carmen; Gil-Moltó, Juan; Karlström, Sofia; Falvello, Larry R.","Di-2-pyridylmethylamine-based palladium complexes as new catalysts for Heck, Suzuki, and Sonogashira reactions in organic and aqueous solvents.","Organic letters","2003","5","9","1451","1454","10.1021/ol0341849","","","0.71073","MoKα","","0.0714","0.0475","","","0.1086","0.122","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507278","6.1075","0.0004","12.7783","0.0009","16.3969","0.0012","90","","98.271","0.001","90","","1266.36","0.15","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 O3 S2 -","- C28 O3 S2 -","- C56 O6 S4 -","2","1","","Bear, Brian R.; Parnes, Jason S.; Shea, Kenneth J.","Progress toward the total synthesis of (+)-aldosterone: synthesis of the A-D rings.","Organic letters","2003","5","10","1613","1616","10.1021/ol034218c","","","0.71073","MoKα","","0.1377","0.1018","","","0.2674","0.3068","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507279","20.29","0.01","20.29","0.01","24.25","0.03","90","","90","","120","","8646","12","123.1","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H7 Ag F20 N4 O0.5 -","- C44 H7 Ag F20 N4 O0.5 -","- C396 H63 Ag9 F180 N36 O4.5 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.7107","MoKα","","","0.057","","","","0.081","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507280","19.6856","0.001","19.6856","0.001","24.831","0.003","90","","90","","120","","8333.4","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C396 H72 F180 N36 Ni9 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.71073","MoKα","","0.0894","0.0489","","","0.1207","0.1492","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507281","19.6798","0.001","19.6798","0.001","25.097","0.003","90","","90","","120","","8417.7","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 F20 N4 Pd -","- C44 H8 F20 N4 Pd -","- C396 H72 F180 N36 Pd9 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.71073","MoKα","","0.1001","0.0478","","","0.1148","0.1352","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507282","20.1647","0.0009","20.1647","0.0009","23.941","0.002","90","","90","","120","","8430.6","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.71073","MoKα","","0.1164","0.0707","","","0.1996","0.2552","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507283","7.141","0.001","8.937","0.001","20.605","0.003","90","","90","","90","","1315","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O6 -","- C13 H17 N O6 -","- C52 H68 N4 O24 -","4","1","","Cardona, Francesca; Goti, Andrea; Brandi, Alberto","Nitrone cycloadditions to isolevoglucosenone: ready access to a new class of directly linked (1–>3)-imino-C-disaccharides.","Organic letters","2003","5","9","1475","1478","10.1021/ol0342507","","","1.54178","CuKα","","0.0512","0.0508","","","0.1249","0.1259","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507284","5.593","","8.325","","36.586","0.001","90","0.002","90","0.003","90","0.004","1703.51","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C64 H100 N4 O24 -","4","1","","Cardona, Francesca; Goti, Andrea; Brandi, Alberto","Nitrone cycloadditions to isolevoglucosenone: ready access to a new class of directly linked (1–>3)-imino-C-disaccharides.","Organic letters","2003","5","9","1475","1478","10.1021/ol0342507","","","1.54178","CuKα","","0.042","0.0408","","","0.1154","0.1176","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:04",""
"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","301775","2025-08-18","14:03:04",""
"1507286","6.6428","0.0013","28.593","0.004","8.7453","0.0006","90","","110.508","0.011","90","","1555.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 F6 N3 P S -","- C10 H16 F6 N3 P S -","- C40 H64 F24 N12 P4 S4 -","4","1","","Scardovi, Noemi; Garner, Philip P.; Protasiewicz, John D.","S-(2-pyridinyl)-1,1,3,3-tetramethylthiouronium hexafluorophosphate. A new reagent for the synthesis of 2-pyridinethiol esters.","Organic letters","2003","5","10","1633","1635","10.1021/ol034253j","","","0.71073","MoKα","","0.1234","0.0881","","","0.2182","0.2556","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507287","9.7883","0.0007","19.5135","0.0013","19.8075","0.0013","84.124","0.001","88.603","0.001","79.462","0.001","3699.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Cl N3 Pd -","- C41 H50 Cl N3 Pd -","- C164 H200 Cl4 N12 Pd4 -","4","2","","Viciu, Mihai S.; Kelly, 3rd, Roy A; Stevens, Edwin D.; Naud, Frédéric; Studer, Martin; Nolan, Steven P.","Synthesis, characterization, and catalytic activity of N-heterocyclic carbene (NHC) palladacycle complexes.","Organic letters","2003","5","9","1479","1482","10.1021/ol034264c","","","0.71073","MoKα","","0.0436","0.0298","","","0.0682","0.0736","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507288","36.834","0.01","12.576","0.003","14.084","0.004","90","","106.186","0.005","90","","6265","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H38 Cl N3 Pd -","- C35 H38 Cl N3 Pd -","- C280 H304 Cl8 N24 Pd8 -","8","1","","Viciu, Mihai S.; Kelly, 3rd, Roy A; Stevens, Edwin D.; Naud, Frédéric; Studer, Martin; Nolan, Steven P.","Synthesis, characterization, and catalytic activity of N-heterocyclic carbene (NHC) palladacycle complexes.","Organic letters","2003","5","9","1479","1482","10.1021/ol034264c","","","0.71073","MoKα","","0.1041","0.0869","","","0.1846","0.1918","","","","","","1.248","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507289","12.2918","0.0014","14.5009","0.0017","12.6441","0.0015","90","","96.671","0.002","90","","2238.5","0.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Ma, Shengming; Yu, Zhanqian","Efficient synthesis of bibutenolide derivatives through oxidative dimeric cyclization-coupling reaction of 2,3-allenoic acids.","Organic letters","2003","5","9","1507","1510","10.1021/ol0342812","","","0.71073","MoKα","","0.0924","0.0658","","","0.1761","0.2129","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507290","17.3667","0.0012","29.873","0.002","8.521","0.0006","90","","90","","90","","4420.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C208 H208 O32 -","8","2","","Ma, Shengming; Yu, Zhanqian","Efficient synthesis of bibutenolide derivatives through oxidative dimeric cyclization-coupling reaction of 2,3-allenoic acids.","Organic letters","2003","5","9","1507","1510","10.1021/ol0342812","","","0.71073","MoKα","","0.0778","0.0433","","","0.0774","0.0853","","","","","","0.851","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507291","10.496","0.006","13.985","0.006","9.237","0.005","106.79","0.04","94.99","0.05","84.92","0.04","1290.3","1.2","173.2","","173.2","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 Cl N3 O -","- C11 H16 Cl N3 O -","- C44 H64 Cl4 N12 O4 -","4","2","","Ripka, Amy S.; Díaz, David D; Sharpless, K. Barry; Finn, M. G.","First practical synthesis of formamidine ureas and derivatives.","Organic letters","2003","5","9","1531","1533","10.1021/ol034287r","","","0.7107","MoKalpha","","","0.0467","","","0.062","","","","","1.608","1.608","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507292","8.1512","0.0009","24.47","0.003","10.626","0.0012","90","","111.793","0.002","90","","1968","0.4","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl2 N O5 -","- C21 H19 Cl2 N O5 -","- C84 H76 Cl8 N4 O20 -","4","1","","Artman, 3rd, Gerald D; Weinreb, Steven M.","An approach to the total synthesis of the marine ascidian metabolite perophoramidine via a halogen-selective tandem Heck/carbonylation strategy.","Organic letters","2003","5","9","1523","1526","10.1021/ol034314d","","","0.71073","MoKα","","0.0406","0.0373","","","0.0933","0.0956","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507293","7.7157","0.0009","19.226","0.002","43.385","0.005","90","","90.028","0.002","90","","6435.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H50 N12 O S6 -","- C63 H50 N12 O S6 -","- C252 H200 N48 O4 S24 -","4","1","","Pappenfus, Ted M.; Burand, Michael W.; Janzen, Daron E.; Mann, Kent R.","Synthesis and characterization of tricyanovinyl-capped oligothiophenes as low-band-gap organic materials.","Organic letters","2003","5","9","1535","1538","10.1021/ol034317q","","","0.71073","MoKα","","0.1638","0.1419","","","0.3062","0.3151","","","","","","1.203","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507294","8.2285","0.0001","23.0207","0.0004","10.2019","0.0002","90","","99.03","0.0006","90","","1908.55","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Hong, Bor-Cherng; Gupta, Arun Kumar; Wu, Ming-Fun; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Hetero [6+3] cycloaddition of fulvenes with N-alkylidene glycine esters: a facile synthesis of the delavayine and incarvillateine framework.","Organic letters","2003","5","10","1689","1692","10.1021/ol034329b","","","0.71073","MoKα","","0.1402","0.0669","","","0.1773","0.2264","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507295","11.099","0.0009","8.6516","0.0007","20.1131","0.0016","90","","101.373","0.001","90","","1893.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 -","- C23 H22 N O2 -","- C92 H88 N4 O8 -","4","1","","Hong, Bor-Cherng; Gupta, Arun Kumar; Wu, Ming-Fun; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Hetero [6+3] cycloaddition of fulvenes with N-alkylidene glycine esters: a facile synthesis of the delavayine and incarvillateine framework.","Organic letters","2003","5","10","1689","1692","10.1021/ol034329b","","","0.71073","MoKα","","0.0538","0.0473","","","0.1338","0.1394","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507296","8.5137","0.0005","20.2068","0.0012","21.1413","0.0011","90","","101.7","0.007","90","","3561.5","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 -","- C56 H32 -","- C224 H128 -","4","1","","Deichmann, M.; Näther, C; Herges, Rainer","Pyrolysis of a tubular aromatic compound.","Organic letters","2003","5","8","1269","1271","10.1021/ol034352x","","","0.71073","MoKα","","0.0589","0.0452","","","0.1117","0.1198","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507297","12.171","0.002","12.483","0.003","15.933","0.003","93.98","0.03","101.23","0.03","118.61","0.03","2046.9","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","NR86","","","- C44 H37 Br Cl2 D2 O P2 Pd S -","- C44 H39 Br Cl2 O P2 Pd S -","- C88 H78 Br2 Cl4 O2 P4 Pd2 S2 -","2","1","","Rodríguez, Nuria; Cuenca, Ana; Ramírez de Arellano, Carmen; Medio-Simón, Mercedes; Asensio, Gregorio","Unprecedented palladium-catalyzed cross-coupling reaction of alpha-bromo sulfoxides with boronic acids.","Organic letters","2003","5","10","1705","1708","10.1021/ol034358m","","","0.71073","MoKα","","0.0996","0.049","","","0.0933","0.1033","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507298","15.6343","0.0017","8.7869","0.0009","29.339","0.003","90","","96.958","0.003","90","","4000.8","0.7","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H48 S2 -","- C50 H48 S2 -","- C200 H192 S8 -","4","1","","Wang, Weiling; Xu, Jianwei; Lai, Yee-Hing","Alternating conjugated and transannular chromophores: tunable property of fluorene-paracyclophane copolymers via transannular pi-pi interaction.","Organic letters","2003","5","16","2765","2768","10.1021/ol034413r","","","0.71073","MoKα","","0.126","0.0626","","","0.1362","0.1572","","","","","","0.987","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507299","18.073","0.006","8.335","0.003","33.036","0.004","90","","103.84","0.02","90","","4832","2","298.2","","298.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethyl 1-benzyl-3-(dimethoxymethyl)-4-[(4-methylphenyl)sulfonyl]-5-oxo-2-pyrrolidinecarboxylate","","- C24 H29 N O7 S -","- C24 H29 N O7 S -","- C192 H232 N8 O56 S8 -","8","1","","Sun, Pei-Pei; Chang, Meng-Yang; Chiang, Michael Y.; Chang, Nein-Chen","A facile route to polysubstitutedN-benzyl pyroglutamates.","Organic letters","2003","5","10","1761","1763","10.1021/ol0344164","","","0.7107","MoKα","","0.0566","0.0423","","0.0484","","0.0476","","","3.222","","","3.588","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507300","21.192","0.003","10.971","0.003","10.128","0.003","90","","112.54","0.02","90","","2174.9","1","298.2","","298.2","","","","","","","","","5","C 1 c 1","C -2yc","9","","ethyl 1-benzyl-3-methyl-4-[(4-methylphenyl)sulfonyl]-5-oxo-2-pyrrolidinecarboxylate","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","Sun, Pei-Pei; Chang, Meng-Yang; Chiang, Michael Y.; Chang, Nein-Chen","A facile route to polysubstitutedN-benzyl pyroglutamates.","Organic letters","2003","5","10","1761","1763","10.1021/ol0344164","","","0.7107","MoKα","","0.0573","0.0383","","0.0517","","0.0487","","","1.588","","","1.723","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507301","9.756","0.001","11.07","0.001","12.207","0.002","106.97","0.01","98.7","0.02","94.06","0.01","1237.2","0.3","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","ethyl 1-benzyl-4-[(4-methylphenyl)sulfonyl]-5-oxo-3-phenyl -2-pyrrolidinecarboxylate","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Sun, Pei-Pei; Chang, Meng-Yang; Chiang, Michael Y.; Chang, Nein-Chen","A facile route to polysubstitutedN-benzyl pyroglutamates.","Organic letters","2003","5","10","1761","1763","10.1021/ol0344164","","","0.7107","MoKα","","0.0506","0.0408","","0.0484","","0.0479","","","3.695","","","4.024","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507302","11.999","0.004","13.807","0.007","8.733","0.002","99.86","0.03","95.91","0.02","69.86","0.03","1336.8","0.9","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","ethyl 1-benzyl-3-[(benzyloxy)methyl]-4-[(4-methylphenyl)sulfonyl]-5-oxo-2-pyrrolidinecarboxylate","","- C29 H31 N O6 S -","- C29 H31 N O6 S -","- C58 H62 N2 O12 S2 -","2","1","","Sun, Pei-Pei; Chang, Meng-Yang; Chiang, Michael Y.; Chang, Nein-Chen","A facile route to polysubstitutedN-benzyl pyroglutamates.","Organic letters","2003","5","10","1761","1763","10.1021/ol0344164","","","0.7107","MoKα","","0.0966","0.0563","","0.0973","","0.0886","","","1.76","","","2.037","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507303","12.8069","0.0003","14.125","0.0004","15.489","0.0004","66.3","0.001","86.481","0.001","87.683","0.001","2560.4","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 O4 S2 -","- C28 H38 O4 S2 -","- C112 H152 O16 S8 -","4","2","","Xu, Jianwei; Lai, Yee-Hing; Wang, Weiling","Variable ion selectivity in [N.3.3](1,3,5)crownophanes: the ""breathing"" process.","Organic letters","2003","5","16","2781","2784","10.1021/ol034424k","","","0.71073","MoKα","","0.0916","0.0652","","","0.1508","0.1683","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507304","10.1162","0.0001","11.0901","0.0001","13.6419","0.0001","96.557","0.001","99.129","0.001","105.923","0.001","1432.93","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 O5 S2 -","- C30 H42 O5 S2 -","- C60 H84 O10 S4 -","2","1","","Xu, Jianwei; Lai, Yee-Hing; Wang, Weiling","Variable ion selectivity in [N.3.3](1,3,5)crownophanes: the ""breathing"" process.","Organic letters","2003","5","16","2781","2784","10.1021/ol034424k","","","0.71073","MoKα","","0.0552","0.0447","","","0.1314","0.1381","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507305","15.748","0.0015","8.6888","0.0008","21.24","0.002","90","","102.789","0.002","90","","2834.2","0.5","86","2","86","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(2-methyl-5-pheneyl-3-thienyl)- 2-[2-methyl-5-(4-(3-methyl-1-penten-1-yl) phenyl)-3-thienyl]perfluorocyclopenentene","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C132 H112 F24 S8 -","4","2","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.0946","0.0479","","","0.097","0.1125","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507306","10.3986","0.0016","8.6686","0.0013","16.054","0.003","90","","100.89","0.003","90","","1421.1","0.4","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(2-methyl-5-pheneyl-3-thienyl)- 2-[2-methyl-5-(4-(3-methyl-1-penten-1-yl)phenyl)- 3-thienyl]perfluorocyclopenentene","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C66 H56 F12 S4 -","2","1","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.0455","0.0351","","","0.0791","0.0833","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507307","10.555","0.006","25.402","0.013","10.647","0.006","90","","91.697","0.006","90","","2853","3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,R,R)-1b","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C132 H112 F24 S8 -","4","2","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.2019","0.0931","","","0.2286","0.2971","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507308","10.4026","0.0018","21.482","0.004","25.657","0.005","90","","90","","90","","5733.5","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S,S)-1b","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C264 H224 F48 S16 -","8","2","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.3307","0.0802","","","0.1793","0.2835","","","","","","0.825","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507309","10.157","0.0016","16.733","0.003","13.165","0.002","90","","104.326","0.003","90","","2167.9","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","02306a","","","- C18 H17 F3 I N O6 S -","- C18 H17 F3 I N O6 S -","- C72 H68 F12 I4 N4 O24 S4 -","4","2","","Zhdankin, Viktor V.; Koposov, Alexey Y.; Su, Liansheng; Boyarskikh, Vyacheslav V.; Netzel, Brian C.; Young, Jr, Victor G","Synthesis and structure of amino acid-derived benziodazoles: new hypervalent iodine heterocycles.","Organic letters","2003","5","9","1583","1586","10.1021/ol0344523","","","0.71073","MoKα","","0.0464","0.0411","","","0.1014","0.106","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507310","9.0611","0.0008","9.0611","0.0008","20.066","0.003","90","","90","","90","","1647.5","0.3","173","2","173","2","","","","","","","","5","P 41","P 4w","76","03028A","","","- C17 H16 I N O3 -","- C17 H16 I N O3 -","- C68 H64 I4 N4 O12 -","4","1","","Zhdankin, Viktor V.; Koposov, Alexey Y.; Su, Liansheng; Boyarskikh, Vyacheslav V.; Netzel, Brian C.; Young, Jr, Victor G","Synthesis and structure of amino acid-derived benziodazoles: new hypervalent iodine heterocycles.","Organic letters","2003","5","9","1583","1586","10.1021/ol0344523","","","0.71073","MoKα","","0.0604","0.0474","","","0.0806","0.0841","","","","","","1.106","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507311","12.408","0.001","14.56","0.001","11.487","0.001","90","","107.92","0.01","90","","1974.6","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Di-tert-butylphosphinoyl)-7-(3-methylbut-2-enyl)-indole","","- C21 H32 N O P -","- C21 H32 N O P -","- C84 H128 N4 O4 P4 -","4","1","","Hartung, Christian G.; Fecher, Anja; Chapell, Brian; Snieckus, Victor","Directed ortho metalation approach to C-7-substituted indoles. Suzuki-Miyaura cross coupling and the synthesis of pyrrolophenanthridone alkaloids.","Organic letters","2003","5","11","1899","1902","10.1021/ol0344772","","","0.71073","MoKα","","0.0424","0.0358","","","0.0852","0.0856","","","","","","2.629","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507312","5.9749","0.0004","9.9112","0.0006","27.8315","0.0018","90","","94.507","0.001","90","","1643.04","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","1","","Du, Xiaohui; Chu, Hiufung V.; Kwon, Ohyun","Synthesis of the [5-7-6] tricyclic core of guanacastepene A via an intramolecular Mukaiyama aldol reaction.","Organic letters","2003","5","11","1923","1926","10.1021/ol0344873","","","0.71073","MoKα","","0.0458","0.0368","","","0.0921","0.099","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507313","7.8609","0.0008","13.0889","0.0013","15.9303","0.0016","90","","95.062","0.002","90","","1632.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","1","","Du, Xiaohui; Chu, Hiufung V.; Kwon, Ohyun","Synthesis of the [5-7-6] tricyclic core of guanacastepene A via an intramolecular Mukaiyama aldol reaction.","Organic letters","2003","5","11","1923","1926","10.1021/ol0344873","","","0.71073","MoKα","","0.0566","0.0371","","","0.0865","0.0989","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507314","8.4102","0.0017","11.579","0.002","19.01","0.004","90","","99.62","0.03","90","","1825.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thieno[3,4-f][1,2,3,4,5]pentathiepin","","","- C14 H20 N2 S6 -","- C14 H20 N2 S6 -","- C56 H80 N8 S24 -","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","","0.0442","0.033","","","0.0988","0.1041","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:04",""
"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","301775","2025-08-18","14:03:04",""
"1507316","10.73","0.002","19.233","0.004","8.9878","0.0018","90","","94.2","0.03","90","","1849.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl3 N3 O3 -","- C15 H14 Cl3 N3 O3 -","- C60 H56 Cl12 N12 O12 -","4","1","","Shi, Weifeng; Jiang, Nan; Zhang, Shiwei; Wu, Weiming; Du, Daming; Wang, Jianbo","Unusual reaction of beta-hydroxy alpha-diazo carbonyl compounds with Cl3CCN/NaH and Rh(II)-catalyzed reaction of beta-trichloroacetylamino alpha-diazo carbonyl compounds.","Organic letters","2003","5","13","2243","2246","10.1021/ol034550o","","","0.71073","MoKα","","0.125","0.0595","","","0.1599","0.1799","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507317","9.6616","0.0019","10.436","0.002","15.21","0.003","89.51","0.03","71.86","0.03","78.36","0.03","1425","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Cl3 N3 O3 -","- C9 H12 Cl3 N3 O3 -","- C36 H48 Cl12 N12 O12 -","4","2","","Shi, Weifeng; Jiang, Nan; Zhang, Shiwei; Wu, Weiming; Du, Daming; Wang, Jianbo","Unusual reaction of beta-hydroxy alpha-diazo carbonyl compounds with Cl3CCN/NaH and Rh(II)-catalyzed reaction of beta-trichloroacetylamino alpha-diazo carbonyl compounds.","Organic letters","2003","5","13","2243","2246","10.1021/ol034550o","","","0.71073","MoKα","","0.0959","0.0591","","","0.1663","0.1786","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507318","6.8009","0.0002","26.0508","0.0009","7.0508","0.0003","90","","106.97","0.002","90","","1194.79","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O10 -","- C23 H26 N2 O10 -","- C46 H52 N4 O20 -","2","1","","Paterson, Ian; Ashton, Kate; Britton, Robert; Knust, Henner","Toward the synthesis of reidispongiolide a: stereocontrolled synthesis of the C17-C22 and C23-C35 degradation fragments.","Organic letters","2003","5","11","1963","1966","10.1021/ol034558y","","","0.71073","MoKα","","0.0542","0.0464","","","0.1139","0.1194","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507319","13.565","0.003","18.125","0.004","16.762","0.003","90","","96.03","0.03","90","","4098.4","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H54 N O3 P Pd -","- C45 H33 N O3 P Pd -","- C180 H132 N4 O12 P4 Pd4 -","4","1","","Liu, Xiaoxiang; Hartwig, John F.","Palladium-catalyzed alpha-arylation of azlactones to form quaternary amino acid derivatives.","Organic letters","2003","5","11","1915","1918","10.1021/ol034570q","","","0.71073","MoKα","","0.1195","0.0749","","","0.2238","0.2578","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507320","11.4095","0.0008","5.3468","0.0004","15.4399","0.0011","90","","98.187","0.001","90","","932.3","0.12","173","2","173","2","","","","","","","","3","P 1 2 1","P 2y","3","","","","- C18 H28 O8 -","- C18 H28 O8 -","- C36 H56 O16 -","2","1","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0575","0.0466","","","0.1112","0.1189","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507321","5.578","0.0006","17.6572","0.0016","20.963","0.002","90","","90.614","0.004","90","","2064.6","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","2","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0981","0.0814","","","0.2038","0.2125","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507322","8.2496","0.0011","10.1013","0.0015","11.6656","0.0017","82.558","0.006","82.658","0.006","82.064","0.006","948.7","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C18 H28 O6 -","- C18 H28 O6 -","- C36 H56 O12 -","2","2","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0693","0.047","","","0.0864","0.0947","","","","","","0.984","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507323","4.7958","0.0005","16.711","0.002","17.195","0.002","90","","90","","90","","1378.1","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0624","0.0431","","","0.0933","0.1036","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507324","9.3989","0.0009","10.2639","0.001","10.2739","0.001","90","","102.618","0.002","90","","967.18","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O6 -","- C18 H28 O6 -","- C36 H56 O12 -","2","1","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0509","0.0365","","","0.0807","0.0869","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507325","18.327","0.006","5.478","0.0018","13.272","0.004","90","","127.937","0.005","90","","1050.9","0.6","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0525","0.0417","","","0.1041","0.1102","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507326","17.45","0.005","11.56","0.003","17.583","0.005","90","","117.887","0.005","90","","3135","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-oxo-1,4,4,8-tetramethyltricyclo[6.3.0.0(2,6)]undec-2(6)-en-7-yl 4-nitrobenzoate","","- C22 H25 N O5 -","- C22 H24.3333 N O5 -","- C132 H146 N6 O30 -","6","3","","Srikrishna, A.; Dethe, Dattatraya H.","Enantiospecific first total synthesis and assignment of absolute configuration of the sesquiterpene (-)-cucumin H.","Organic letters","2003","5","13","2295","2298","10.1021/ol034635p","","","0.71073","MoKα","","0.0875","0.0524","","","0.1093","0.1228","","","","","","0.878","","","","has coordinates","211413","2020-10-21","18:00:00",""
"1507327","12.532","0.003","12.935","0.003","9.831","0.002","90","","92.51","0.03","90","","1592.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F N O2 -","- C20 H14 F N O2 -","- C80 H56 F4 N4 O8 -","4","1","","Bossharth, Emmanuel; Desbordes, Philippe; Monteiro, Nuno; Balme, Geneviève","Palladium-mediated three-component synthesis of furo[2,3-b]pyridones by one-pot coupling of 3-iodopyridones, alkynes, and organic halides.","Organic letters","2003","5","14","2441","2444","10.1021/ol034644y","","","0.71073","MoKα","","0.1063","0.0664","","","0.1897","0.2507","","","","","","0.879","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507328","12.4162","0.0003","7.6844","0.0002","26.1667","0.0006","90","","90","","90","","2496.59","0.11","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Oxidative demetalation of cyclohexadienyl ruthenium(II) complexes: a net Ru-mediated dearomatization.","Organic letters","2003","5","11","2011","2014","10.1021/ol034646i","","","0.71073","MoKα","","0.1119","0.0664","","","0.1396","0.1605","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507329","11.8756","0.0011","7.0112","0.0005","20.7657","0.001","90","","104.975","0.005","90","","1670.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 N2 O6 -","- C33 H44 N2 O6 -","- C66 H88 N4 O12 -","2","1","","Armstrong, Alan; Scutt, James N.","Stereocontrolled synthesis of 3-(trans-2-aminocyclopropyl)alanine, a key component of belactosin A.","Organic letters","2003","5","13","2331","2334","10.1021/ol0346887","","","1.54178","CuKα","","0.0572","0.051","","","0.1403","0.1456","","","","","","1.064","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507330","9.347","0.002","15.163","0.004","16.451","0.004","103.057","0.004","98.13","0.004","106.156","0.004","2129","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","JA034816M","","- C50 H24 Cl8 O4 -","- C50 H24 Cl8 O4 -","- C100 H48 Cl16 O8 -","2","1","","Sygula, Andrzej; Sygula, Renata; Ellern, Arkady; Rabideau, Peter W.","Novel twin corannulene: synthesis and crystal structure determination of a dicorannulenobarrelene dicarboxylate.","Organic letters","2003","5","15","2595","2597","10.1021/ol034692i","","","0.71073","MoKα","","0.102","0.0778","","","0.2023","0.2215","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507331","14.851","0.0002","10.259","0.0002","17.072","0.0003","90","","111.471","0.0006","90","","2420.52","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 N O3 -","- C32 H23 N O3 -","- C128 H92 N4 O12 -","4","1","","Pohl, Radek; Anzenbacher, Jr, Pavel","Emission color tuning in AlQ3 complexes with extended conjugated chromophores.","Organic letters","2003","5","16","2769","2772","10.1021/ol034693a","","","0.71073","MoKα","","0.0852","0.0482","","","0.1076","0.1227","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507332","25.478","0.004","10.6844","0.0017","23.419","0.004","90","","122.894","0.003","90","","5353","1.5","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 F2 -","- C38 H22 F2 -","- C304 H176 F16 -","8","1","","Deaton, Kimberly R.; Gin, Mary S.","Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes.","Organic letters","2003","5","14","2477","2480","10.1021/ol034720x","","","0.71073","MoKα","","0.1655","0.0478","","","0.0726","0.0931","","","","","","0.849","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507333","16.252","0.007","15.611","0.007","20.917","0.009","90","","90","","90","","5307","4","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H24 -","- C38 H24 -","- C304 H192 -","8","1","","Deaton, Kimberly R.; Gin, Mary S.","Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes.","Organic letters","2003","5","14","2477","2480","10.1021/ol034720x","","","0.71073","MoKα","","0.0712","0.0438","","","0.1014","0.1108","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507334","14.8243","0.001","12.3639","0.0008","17.7016","0.0012","90","","101.295","0.001","90","","3181.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Cl N O -","- C17 H24 Cl N O -","- C136 H192 Cl8 N8 O8 -","8","1","","Magomedov, Nabi A.","Efficient construction of cyclopenta[b]quinoline core of isoschizozygane alkaloids via intramolecular formal hetero-Diels-Alder reaction.","Organic letters","2003","5","14","2509","2512","10.1021/ol034776r","","","0.71073","MoKα","","0.0641","0.0492","","","0.1201","0.1277","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507335","19.154","0.003","19.154","0.003","8.393","0.002","90","","90","","120","","2666.7","0.9","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C19.17 H17 N O3 -","- C19.16 H17 N O3 -","- C114.96 H102 N6 O18 -","6","1","","Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A","Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.","Organic letters","2003","5","14","2531","2534","10.1021/ol0347803","","","0.71073","MoKα","","0.0507","0.0369","","","0.0874","0.0923","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507336","8.4096","0.0006","9.4818","0.0007","9.3272","0.0006","90","","96.961","0.001","90","","738.25","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A","Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.","Organic letters","2003","5","14","2531","2534","10.1021/ol0347803","","","0.71073","MoKα","","0.0293","0.0284","","","0.0671","0.068","","","","","","0.611","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507337","12.238","0.003","9.468","0.002","13.81","0.004","90","","97.769","0.005","90","","1585.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A","Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.","Organic letters","2003","5","14","2531","2534","10.1021/ol0347803","","","0.71073","MoKα","","0.0548","0.0371","","","0.0928","0.103","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507338","11.1764","0.0016","9.008","0.0013","15.168","0.002","90","","98.844","0.002","90","","1508.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A","Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.","Organic letters","2003","5","14","2531","2534","10.1021/ol0347803","","","0.71073","MoKα","","0.0402","0.0345","","","0.0875","0.0924","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507339","6.013","0.001","8.5395","0.0012","12.3197","0.0015","90","","101.529","0.005","90","","619.83","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Organic crystal MJ-450E K182 2,3-O-(1-Methylethylidene)-5,5-di-C- methyl-α-L-lyxofuranose [6-Deoxy-5-C-methyl-2,3-O-(1-methylethylidene)- α-L-lyxo-hexofuranose] (9a).","","- C10 H20 O6 -","- C10 H20 O6 -","- C20 H40 O12 -","2","1","","Jeselnik, Marjan; Leban, Ivan; Polanc, Slovenko; Kocevar, Marijan","D-Gulonolactone as a synthon for L-noviose: first preparation of 4-O-demethyl-L-noviofuranose and related derivatives.","Organic letters","2003","5","15","2651","2653","10.1021/ol034796t","","","0.71073","MoKα","","0.037","0.0356","","","0.1023","0.104","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507340","9.712","0.0005","10.309","0.001","19.36","0.0015","90","","90","","90","","1938.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Organic crystal MJ-630 K338 Methyl 2,3-O-(1-methylethylidene)-5,5-di- C-phenyl-α-L-lyxofuranoside (12).","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Jeselnik, Marjan; Leban, Ivan; Polanc, Slovenko; Kocevar, Marijan","D-Gulonolactone as a synthon for L-noviose: first preparation of 4-O-demethyl-L-noviofuranose and related derivatives.","Organic letters","2003","5","15","2651","2653","10.1021/ol034796t","","","0.71073","MoKα","","0.0485","0.0371","","","0.1011","0.1259","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507341","15.6916","0.0012","8.0862","0.0006","16.936","0.0018","90","","118.437","0.01","90","","1889.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-dimethylaminopyridoxine-a4-(tert-butyldimethylsilyl ether)","","- C16 H30 N2 O3 Si -","- C16 H30 N2 O3 Si -","- C64 H120 N8 O12 Si4 -","4","1","","Culbertson, Sean M.; Enright, Gary D.; Ingold, K. U.","Synthesis of a novel radical trapping and carbonyl group trapping anti-AGE agent: a pyridoxamine analogue for inhibiting advanced glycation (AGE) and lipoxidation (ALE) end products.","Organic letters","2003","5","15","2659","2662","10.1021/ol0348147","","","0.71073","MoKα","","0.0678","0.043","","","0.1149","0.1259","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507342","10.4039","0.0007","12.9429","0.0008","8.922","0.0006","90","","91.346","0.01","90","","1201.08","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-dimethylaminopyridoxine hydrochloride","","- C10 H17 Cl N2 O3 -","- C10 H17 Cl N2 O3 -","- C40 H68 Cl4 N8 O12 -","4","1","","Culbertson, Sean M.; Enright, Gary D.; Ingold, K. U.","Synthesis of a novel radical trapping and carbonyl group trapping anti-AGE agent: a pyridoxamine analogue for inhibiting advanced glycation (AGE) and lipoxidation (ALE) end products.","Organic letters","2003","5","15","2659","2662","10.1021/ol0348147","","","0.71073","MoKα","","0.0628","0.0411","","","0.1069","0.1169","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507343","16.8027","0.0001","10.6195","0.0001","19.6975","0.0002","90","","106.934","0.001","90","","3362.35","0.05","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 F2 N O3 -","- C17 H21 F2 N O3 -","- C136 H168 F16 N8 O24 -","8","1","","Fustero, Santos; Bartolomé, Ana; Sanz-Cervera, Juan F; Sánchez-Roselló, María; arcía Soler, Juan; Ramírez de Arellano, Carmen; Fuentes, Antonio Simón","Diastereoselective synthesis of fluorinated, seven-membered beta-amino acid derivatives via ring-closing metathesis.","Organic letters","2003","5","14","2523","2526","10.1021/ol034827k","","","0.71073","MoKα","","0.0717","0.0423","","","0.1251","0.1374","","","","","","1.047","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507344","9.0609","0.0013","9.6281","0.0014","24.8","0.004","90","","90","","90","","2163.5","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O10 -","- C23 H24 O10 -","- C92 H96 O40 -","4","1","","Marrero, Jeffrey; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Isolation and structure of providencin: a highly oxygenated diterpene possessing a unique bicyclo[12.2.0]hexadecane ring system from the sea plume Pseudopterogorgia kallos.","Organic letters","2003","5","14","2551","2554","10.1021/ol034833g","","","0.71073","MoKα","","0.1244","0.0436","","","0.0829","0.1046","","","","","","0.914","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507345","22.7324","0.0015","9.6336","0.0006","26.7417","0.0018","90","","90","","90","","5856.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,7,12,17-tetraethyl-3,6,13,16-tetrakis(trifluoromethyl)porphycene","","- C32 H26 F12 N4 -","- C32 H26 F12 N4 -","- C256 H208 F96 N32 -","8","1","","Hayashi, Takashi; Nakashima, Yuji; Ito, Kazuyuki; Ikegami, Takahiro; Aritome, Isao; Suzuki, Akihiro; Hisaeda, Yoshio","Synthesis, structure, and chemical property of the first fluorine-containing porphycene.","Organic letters","2003","5","16","2845","2848","10.1021/ol0348452","","","0.71073","MoKα","","0.0943","0.0723","","","0.1424","0.1522","","","","","","1.196","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507346","12.641","0.001","5.8808","0.0006","14.023","0.002","90","","111.009","0.005","90","","973.16","0.19","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O3 -","- C24 H20 O6 -","- C48 H40 O12 -","2","0.5","","Hamura, Toshiyuki; Ibusuki, Yousuke; Sato, Kazuhiko; Matsumoto, Takashi; Osamura, Yoshihiro; Suzuki, Keisuke","Strain-induced regioselectivities in reactions of benzyne possessing a fused four-membered ring.","Organic letters","2003","5","20","3551","3554","10.1021/ol034877p","","","1.5418","CuKα","","","0.1018","","","","0.1291","","","","","","3.437","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507347","9.2851","0.0017","19.449","0.004","14.737","0.003","90","","97.091","0.003","90","","2640.9","0.9","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H43 O4 -","- C27 H43.5 O4 -","- C108 H174 O16 -","4","2","","Myers, Michael C.; Witschi, Mark A.; Larionova, Nataliya V.; Franck, John M.; Haynes, Russell D.; Hara, Toshiaki; Grajkowski, Andrzej; Appella, Daniel H.","A cyclopentane conformational restraint for a peptide nucleic acid: design, asymmetric synthesis, and improved binding affinity to DNA and RNA.","Organic letters","2003","5","15","2695","2698","10.1021/ol0348811","","","0.71073","MoKα","","0.1603","0.073","","","0.1613","0.2029","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507348","6.6975","0.0003","14.1282","0.0013","15.0059","0.0011","90","","90","","90","","1419.91","0.18","298","","","","","","","","","","Dioscorea membranacea Pierre","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","","Itharat, Arunporn; Plubrukarn, Anuchit; Kongsaeree, Palangpon; Bui, Tam; Keawpradub, Niwat; Houghton, Peter J.","Dioscorealides and dioscoreanone, novel cytotoxic naphthofuranoxepins, and 1,4-phenanthraquinone from Dioscorea membranacea Pierre.","Organic letters","2003","5","16","2879","2882","10.1021/ol034926y","","","0.71073","MoKα","","0.0463","0.0395","","","0.0993","0.1063","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507349","7.77","0.0002","20.7979","0.0007","8.2851","0.0002","90","","96.5442","0.0019","90","","1330.15","0.07","200","1","200","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Wang, Yong; Schill, Brenden D.; Arif, Atta M.; West, F. G.","Formal intermolecular 4 + 4 approach to cyclooctanoids: 4 + 3 capture of the Nazarov oxyallyl intermediate with simple 1,3-dienes.","Organic letters","2003","5","15","2747","2750","10.1021/ol034985b","","","0.71073","MoKα","","0.0555","0.0438","","","0.1102","0.1182","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507350","11.796","0.0004","10.008","0.0004","16.2016","0.0004","90","","100.637","0.002","90","","1879.8","0.11","200","1","200","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 O -","- C24 H26 O -","- C96 H104 O4 -","4","1","","Wang, Yong; Schill, Brenden D.; Arif, Atta M.; West, F. G.","Formal intermolecular 4 + 4 approach to cyclooctanoids: 4 + 3 capture of the Nazarov oxyallyl intermediate with simple 1,3-dienes.","Organic letters","2003","5","15","2747","2750","10.1021/ol034985b","","","0.71073","MoKα","","0.1079","0.0621","","","0.1481","0.1764","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507351","6.334","0.002","10.812","0.004","31.745","0.012","90","","90","","90","","2174","1.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O6 S Si -","- C16 H28 N2 O6 S Si -","- C64 H112 N8 O24 S4 Si4 -","4","1","","Hale, Karl J.; Domostoj, Mathias M.; Tocher, Derek A.; Irving, Ed; Scheinmann, Feodor","Enantiospecific formal total synthesis of the tumor and GSK-3 beta inhibiting alkaloid, (-)-agelastatin A.","Organic letters","2003","5","16","2927","2930","10.1021/ol035036l","","","0.71073","MoKα","","0.1326","0.1119","","","0.2249","0.2344","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507352","10.1195","0.0005","14.1443","0.0007","19.3863","0.001","82.979","0.003","84.235","0.003","88.777","0.003","2740","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O -","- C15.999 H20.998 N O -","- C127.992 H167.984 N8 O8 -","8","4","","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","","0.0647","0.0526","","","0.1202","0.1274","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507353","9.661","0.006","10.475","0.007","12.72","0.008","90","","90","","90","","1287.3","1.4","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H18 N O -","- C60 H72 N4 O4 -","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","","0.0774","0.0679","","","0.1714","0.1789","","","","","","1.1","","","","has coordinates","176729","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","301775","2025-08-18","14:03:04",""
"1507355","12.3234","0.0008","13.4734","0.0009","11.9184","0.0008","90","","113.252","0.001","90","","1818.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N O2 -","- C9 H14 N O2.01 -","- C72 H112 N8 O16.08 -","8","2","","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","","0.1091","0.0998","","","0.2856","0.2955","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507356","9.3985","0.0008","10.7275","0.0009","13.83","0.0012","90","","100.354","0.001","90","","1371.7","0.2","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- 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","","0.0521","0.046","","","0.116","0.1205","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507357","15.186","0.001","13.755","0.001","16.028","0.001","90","","112.33","0.001","90","","3096.9","0.4","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H46 Cl14 N2 O6 P2 Pt -","- C48 H44 Cl8 N2 O6 P2 Pt -","- C96 H88 Cl16 N4 O12 P4 Pt2 -","2","1","","Clochard, Magali; Mattmann, Eric; Mercier, François; Ricard, Louis; Mathey, François","Phosphinites derived from the 7-phosphanorbornene skeleton: first results in asymmetric catalysis.","Organic letters","2003","5","17","3093","3094","10.1021/ol035067g","","","0.71069","MoKα","","0.0672","0.0598","","","0.1583","0.1628","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507358","11.39","0.002","36.076","0.005","12.42","0.002","90","","107.9","0.007","90","","4856.4","1.4","120","","120","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","1-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen -2-yl)-3-phenyl-urea sodium chloride complex","","- C42 H52 Cl N4 Na O12 -","- C42 H52 Cl N4 Na O12 -","- C168 H208 Cl4 N16 Na4 O48 -","4","1","","Barboiu, Mihail; Vaughan, Gavin; van der Lee, Arie","Self-organized heteroditopic macrocyclic superstructures.","Organic letters","2003","5","17","3073","3076","10.1021/ol035096r","","","0.50606","Xα","","0.0879","0.0637","","0.3702","0.1086","","","","","","","0.96","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507359","8.7388","0.0005","11.2448","0.0005","15.3176","0.0012","101.248","0.004","95.301","0.003","98.076","0.003","1450.48","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","1-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen -2-yl)-3-phenyl-urea sodium nitrate complex","","- C23 H25 N4 Na O9 -","- C23 H25 N4 Na O9 -","- C46 H50 N8 Na2 O18 -","2","1","","Barboiu, Mihail; Vaughan, Gavin; van der Lee, Arie","Self-organized heteroditopic macrocyclic superstructures.","Organic letters","2003","5","17","3073","3076","10.1021/ol035096r","","","0.50606","Xα","","0.0866","0.0728","","0.0723","0.0696","","","","","","","1.6","","","","has coordinates","189959","2020-10-21","18:00:00",""
"1507360","18.781","0.0017","8.421","0.0008","16.8221","0.0016","90","","98.135","0.002","90","","2633.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C120 H140 N4 O16 -","4","1","","Takacs, James M.; Schroeder, Scott D.; Han, Jianxin; Gifford, Meg; Jiang, Xun-Tian; Saleh, Twana; Vayalakkada, Suresh; Yap, Amy H.","Controlling mode selectivity in palladium-catalyzed bisdiene carbocyclizations: optimizing for cyclization-trapping over cycloisomerization.","Organic letters","2003","5","20","3595","3598","10.1021/ol035253m","","","0.71073","MoKα","","0.0558","0.0389","","","0.1003","0.1067","","","","","","0.872","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507361","11.2522","0.0005","22.989","0.0012","37.8075","0.0015","90","","90","","90","","9779.9","0.8","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C42 H50 N6 O9 -","- C42 H50 N6 O9 -","- C336 H400 N48 O72 -","8","1","","Chong, Jonathan H.; Sauer, Marc; Patrick, Brian O.; MacLachlan, Mark J.","Highly stable keto-enamine salicylideneanilines.","Organic letters","2003","5","21","3823","3826","10.1021/ol0352714","","","0.71069","MoKα","","0.1556","0.101","","","0.2585","0.2918","","","","","","0.92","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507362","10.108","0.002","10.2","0.002","10.505","0.002","63.23","0.03","65.55","0.03","64.1","0.03","837.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N3 O6 S -","- C14 H19 N3 O6 S -","- C28 H38 N6 O12 S2 -","2","1","","He, Yong; Chen, Yingzhong; Wu, Haiyan; Lovely, Carl J.","Intramolecular Diels-Alder reactions of 4-vinylimidazoles.","Organic letters","2003","5","20","3623","3626","10.1021/ol0352862","","","0.71073","MoKα","","0.0703","0.0639","","0.1819","0.1724","","","","1.048","1.087","1.087","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507363","20.531","0.004","11.646","0.002","9.616","0.002","90","","101.88","0.03","90","","2250","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H26 N4 O5 S -","- C21 H26 N4 O5 S -","- C84 H104 N16 O20 S4 -","4","1","","He, Yong; Chen, Yingzhong; Wu, Haiyan; Lovely, Carl J.","Intramolecular Diels-Alder reactions of 4-vinylimidazoles.","Organic letters","2003","5","20","3623","3626","10.1021/ol0352862","","","0.71073","MoKα","","0.0544","0.0446","","0.1161","0.1109","","","","1.001","1.067","1.067","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507364","9.2287","0.0003","9.9625","0.0003","23.3118","0.0006","90","","90","","90","","2143.31","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 Si -","- C21 H27 N O3 Si -","- C84 H108 N4 O12 Si4 -","4","1","","Shin, Dong-Yun; Jung, Jae-Kyung; Seo, Seung-Yong; Lee, Yong-Sil; Paek, Seung-Mann; Chung, Young Keun; Shin, Dong Mok; Suh, Young-Ger","Stereoselective formation of N-acyliminium ion via chiral N,O-acetal TMS ether and its application to the synthesis of beta-amino acids.","Organic letters","2003","5","20","3635","3638","10.1021/ol035289e","","","0.71073","MoKα","","0.0855","0.0522","","","0.1128","0.1294","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507365","10.1952","0.0017","12.015","0.002","17.932","0.004","90","","95.28","0.02","90","","2187.3","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O6 -","- C23 H22 Br N O6 -","- C92 H88 Br4 N4 O24 -","4","1","","Galliford, Chris V.; Beenen, Melissa A.; Nguyen, SonBinh T; Scheidt, Karl A.","Catalytic, three-component assembly reaction for the synthesis of pyrrolidines.","Organic letters","2003","5","19","3487","3490","10.1021/ol035292y","","","0.71073","MoKα","","0.077","0.0358","","","0.0785","0.0925","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507366","14.499","0.0007","22.921","0.002","23.901","0.002","84.963","0.007","87.541","0.008","86.321","0.006","7890.5","1","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C170 H248 N2 O10 -","- C170 H248 N2 O10 -","- C340 H496 N4 O20 -","2","1","","Garozzo, Domenico; Gattuso, Giuseppe; Kohnke, Franz H.; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia; White, Andrew J. P.; Williams, David J.","Inclusion networks of a calix[5]arene-based exoditopic receptor and long-chain alkyldiammonium ions.","Organic letters","2003","5","22","4025","4028","10.1021/ol035310b","","","1.54178","CuKα","","0.1414","0.08","","0.2522","0.2007","","","","1.046","1.157","1.157","","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507367","7.682","0.0005","12.99","0.001","13.696","0.0009","64.279","0.004","81.104","0.004","89.857","0.005","1213.27","0.15","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 O4 Si -","- C27 H32 O4 Si -","- C54 H64 O8 Si2 -","2","1","","Lautens, Mark; Fang, Yuan-Qing","Synthesis of novel tetracycles via an intramolecular Heck reaction with anti-hydride elimination.","Organic letters","2003","5","20","3679","3682","10.1021/ol035354k","","","0.71073","MoKα","","0.0987","0.0524","","","0.1201","0.1425","","","","","","1.025","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507368","12.774","0.007","10.955","0.004","25.097","0.009","90","","90","","90","","3512","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Booker-Milburn, Kevin I; Jenkins, Helen; Charmant, Jonathan P. H.; Mohr, Peter","Synthesis of the reported structure of pogostol and a total aynthesis of (+/-)-kessane without the use of protecting groups.","Organic letters","2003","5","18","3309","3312","10.1021/ol035373u","","","0.71073","MoKα","","0.073","0.0473","","","0.092","0.1008","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507369","18.0948","0.0013","12.164","0.0006","18.02","0.0014","90","","90.829","0.006","90","","3965.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H87 N4 O4 S2 -","- C88 H76 N4 O4 S2 -","- C176 H152 N8 O8 S4 -","2","0.5","","Rath, Harapriya; Anand, V. G.; Sankar, J.; Venkatraman, S.; Chandrashekar, T. K.; Joshi, Bhawani S.; Khetrapal, C. L.; Schilde, Uwe; Senge, Mathias O.","Core-modified hexaphyrins; characterization of two- and four-ring inverted 26 pi aromatic macrocycles.","Organic letters","2003","5","19","3531","3533","10.1021/ol035408q","","","0.71073","MoKα","","0.108","0.0671","","","0.1708","0.1869","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507370","7.6512","0.0015","11.831","0.002","21.589","0.004","103.31","0.03","92.6","0.03","90.83","0.03","1899.2","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H56 O2 Si2 -","- C42 H56 O2 Si2 -","- C84 H112 O4 Si4 -","2","1","","Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Tetracene derivatives as potential red emitters for organic LEDs.","Organic letters","2003","5","23","4245","4248","10.1021/ol035415e","","","0.71073","MoKα","","0.1128","0.0509","","","0.0961","0.1137","","","","","","0.962","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507371","16.4478","0.0008","6.2864","0.0003","16.1368","0.0008","90","","95.529","0.002","90","","1660.74","0.14","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H25 N O4 Si -","- C14 H25 N O4 Si -","- C56 H100 N4 O16 Si4 -","4","1","","Alonso-Cruz, Carmen R; Kennedy, Alan R.; Rodríguez, María S; Suárez, Ernesto","Fragmentation of carbohydrate anomeric alkoxyl radicals. A new synthesis of chiral beta-iodo azides, vinyl azides, and 2H-azirines.","Organic letters","2003","5","20","3729","3732","10.1021/ol035435g","","","0.71073","MoKα","","0.0614","0.0413","","","0.0734","0.0798","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507372","8.604","0.002","8.287","0.002","10.11","0.002","90","","107.15","0.03","90","","688.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C26 H32 O8 S2 -","2","1","","Díez, David; Garcia, P.; Marcos, Isidro S.; Garrido, N. M.; Basabe, P.; Broughton, Howard B.; Urones, Julio G.","Stereocontrolled synthesis of cyclopropanol amino acids from allylic sulfones: conformationally restricted building blocks.","Organic letters","2003","5","20","3687","3690","10.1021/ol035451d","","","1.5418","CuKα","","0.1172","0.1098","","0.2733","0.262","","","","1.071","1.08","1.08","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507373","12.6242","0.0016","16.104","0.002","16.198","0.002","117.167","0.002","109.577","0.002","95.016","0.002","2644.4","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 N20 O12 -","- C48 H50 N20 O12 -","- C96 H100 N40 O24 -","2","1","","Lagona, Jason; Fettinger, James C.; Isaacs, Lyle","Cucurbit[n]uril analogues.","Organic letters","2003","5","20","3745","3747","10.1021/ol035468w","","","0.71073","MoKα","","0.1176","0.0886","","","0.2379","0.2561","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507374","9.57","0.002","10.258","0.003","12.102","0.003","90","","92","0.02","90","","1187.3","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H N O7 -","- C23 H36 N O5 -","- C46 H72 N2 O10 -","2","1","","Patel, Samir K.; Murat, Karine; Py, Sandrine; Vallée, Yannick","Asymmetric total synthesis and stereochemical elucidation of the antitumor agent PM-94128.","Organic letters","2003","5","22","4081","4084","10.1021/ol035470n","","","1.5418","CuKα","","0.0569","0.0569","","0.0873","","0.0873","","","2.35","","","2.35","","","","has coordinates","189961","2020-10-21","18:00:00",""
"1507375","6.436","0.003","10.506","0.004","12.647","0.005","90","","90","","90","","855.1","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","","Parker, Kathlyn A.; Chang, Wonsuk","A synthesis of L-vancosamine derivatives from non-carbohydrate precursors by a short sequence based on the Marshall, McDonald, and Du Bois reactions.","Organic letters","2003","5","21","3891","3893","10.1021/ol035479p","","","0.71073","MoKα","","0.3521","0.0892","","","0.1443","0.2084","","","","","","0.655","","","","has coordinates","301775","2025-08-18","14:03:04",""
"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","301775","2025-08-18","14:03:04",""
"1507377","8.475","0.001","8.475","0.001","27.185","0.001","90","","90","","90","","1952.6","0.3","296.2","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H20 N2 O4 S2 -","- C20 H20 N2 O4 S2 -","- C80 H80 N8 O16 S8 -","4","0.5","","Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki","Absolute helical arrangement of sulfonamide in the crystal.","Organic letters","2003","5","21","3939","3942","10.1021/ol035509o","","","1.5418","CuKα","","","0.0446","","","","0.062","","","","","","1.186","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507378","11.994","0.003","11.904","0.003","15.388","0.003","90","","90","","90","","2197","0.9","296.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","0.5","","Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki","Absolute helical arrangement of sulfonamide in the crystal.","Organic letters","2003","5","21","3939","3942","10.1021/ol035509o","","","1.5418","CuKα","","","0.0529","","","","0.0839","","","","","","1.403","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507379","5.619","0.0011","17.63","0.004","10.943","0.002","90","","94.254","0.004","90","","1081.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Reddy, D. Srinivasa; Judd, Weston R.; Aubé, Jeffrey","Lewis acid-mediated reactions of alkyl azides with alpha,beta-unsaturated ketones.","Organic letters","2003","5","21","3899","3902","10.1021/ol0355130","","","0.71073","MoKα","","0.0444","0.0399","","","0.1046","0.108","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507380","16.862","0.0002","11.0458","0.0001","16.9723","0.0002","90","","90","","90","","3161.16","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C136 H192 N16 O16 -","8","1","","Bon, Robin S.; Hong, Chongen; Bouma, Marinus J.; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A.","Novel multicomponent reaction for the combinatorial synthesis of 2-imidazolines.","Organic letters","2003","5","20","3759","3762","10.1021/ol035521g","","","0.71073","MoKα","","0.0537","0.0386","","","0.0986","0.107","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507381","8.1024","0.001","10.0673","0.0012","16.2","0.002","90","","90.776","0.002","90","","1321.3","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 Br2 O8 -","- C26 H24 Br2 O8 -","- C52 H48 Br4 O16 -","2","1","","Zhou, Gang; Hu, Qi-Ying; Corey, E. J.","Useful enantioselective bicyclization reactions using an N-protonated chiral oxazaborolidine as catalyst.","Organic letters","2003","5","21","3979","3982","10.1021/ol035542a","","","0.71073","MoKα","","0.0392","0.0355","","","0.0929","0.0948","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507382","7.8245","0.0007","10.4867","0.0009","17.601","0.001","90","","90","","90","","1444.2","0.2","93.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Hirasawa, Yusuke; Morita, Hiroshi; Shiro, Motoo; Kobayashi, Jun'ichi","Sieboldine A, a novel tetracyclic alkaloid from Lycopodium sieboldii, inhibiting acetylcholinesterase.","Organic letters","2003","5","21","3991","3993","10.1021/ol035560s","","","0.7107","MoKα","","","0.0316","","","","0.0776","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507383","13.329","0.001","15.113","0.001","7.459","0.002","90","","90","","90","","1502.5","0.4","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C16 H27 N O4 -","- C64 H108 N4 O16 -","4","1","","Hirasawa, Yusuke; Morita, Hiroshi; Shiro, Motoo; Kobayashi, Jun'ichi","Sieboldine A, a novel tetracyclic alkaloid from Lycopodium sieboldii, inhibiting acetylcholinesterase.","Organic letters","2003","5","21","3991","3993","10.1021/ol035560s","","","0.7107","MoKα","","","0.0322","","","","0.0902","","","","","","1.313","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507384","7.3374","0.0001","12.8235","0.0002","15.6794","0.0003","79.514","0.001","80.208","0.001","84.107","0.001","1425.6","0.04","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Cl2 N12 -","- C29 H18 Cl2 N12 -","- C58 H36 Cl4 N24 -","2","1","","Sessler, Jonathan L.; Pantos, G. Dan; Katayev, Evgeny; Lynch, Vincent M.","Pyrazine analogues of dipyrrolylquinoxalines.","Organic letters","2003","5","22","4141","4144","10.1021/ol0355635","","","0.71073","MoKα","","0.0862","0.0464","","","0.1016","0.1186","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507385","7.206","0.002","7.726","0.002","16.364","0.005","90","","90","","90","","911","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Jang, Doo Ok; Kim, Dwight D.; Pyun, Do Kyu; Beak, Peter","Synthesis of highly enantioenriched all-carbon quaternary centers: conjugate additions of chiral organolithium nucleophiles to alpha,alpha-dinitrile beta,beta-disubstituted olefins.","Organic letters","2003","5","22","4155","4157","10.1021/ol035601k","","","0.71073","MoKα","","0.0364","0.032","","","0.0808","0.083","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507386","7.14","0.003","21.77","0.009","7.897","0.003","90","","94.467","0.007","90","","1223.8","0.9","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Jang, Doo Ok; Kim, Dwight D.; Pyun, Do Kyu; Beak, Peter","Synthesis of highly enantioenriched all-carbon quaternary centers: conjugate additions of chiral organolithium nucleophiles to alpha,alpha-dinitrile beta,beta-disubstituted olefins.","Organic letters","2003","5","22","4155","4157","10.1021/ol035601k","","","0.71073","MoKα","","0.0859","0.0534","","","0.099","0.1088","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507387","8.058","0.003","10.51","0.004","15.705","0.007","72.19","0.007","76.159","0.007","73.244","0.007","1195.8","0.8","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C56 H52 N4 O6 S2 -","2","2","","Jang, Doo Ok; Kim, Dwight D.; Pyun, Do Kyu; Beak, Peter","Synthesis of highly enantioenriched all-carbon quaternary centers: conjugate additions of chiral organolithium nucleophiles to alpha,alpha-dinitrile beta,beta-disubstituted olefins.","Organic letters","2003","5","22","4155","4157","10.1021/ol035601k","","","0.71073","MoKα","","0.0697","0.0515","","","0.1098","0.118","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507388","14.4822","0.001","16.0135","0.0011","19.383","0.002","95.388","0.008","105.608","0.007","97.577","0.006","4252","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C94.63 H61.25 Cl5.25 N4 O12 S2 -","- C92 H58 N4 O12 S2 -","- C184 H116 N8 O24 S4 -","2","1","","Colquhoun, Howard M.; Zhu, Zhixue; Williams, David J.","Extreme complementarity in a macrocycle-tweezer complex.","Organic letters","2003","5","23","4353","4356","10.1021/ol035626j","","","1.54178","CuKα","","0.0887","0.0597","","","0.1438","0.1553","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507389","33.0398","0.0013","14.669","0.0006","19.9868","0.0008","90","","103.814","0.001","90","","9406.6","0.7","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(C60)2(6,13-diphenylpentacene).4.5CS2","","","- C158.5 H22 S9 -","- C158.5 H22 S9 -","- C634 H88 S36 -","4","0.5","","Miller, Glen P.; Briggs, Jonathan; Mack, James; Lord, Pamela A.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene-acene chemistry: single-crystal X-ray structures for a [60]fullerene-pentacene monoadduct and a cis-bis[60]fullerene adduct of 6,13-diphenylpentacene.","Organic letters","2003","5","22","4199","4202","10.1021/ol035646l","","","0.71073","MoKα","","0.1441","0.0791","","","0.224","0.2558","","","","","","0.994","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507390","13.1275","0.0014","19.6","0.002","18.828","0.002","90","","105.288","0.002","90","","4673","0.9","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C60-Pentacene.2CS2","","","- C84 H14 S4 -","- C84 H14 S4 -","- C336 H56 S16 -","4","1","","Miller, Glen P.; Briggs, Jonathan; Mack, James; Lord, Pamela A.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene-acene chemistry: single-crystal X-ray structures for a [60]fullerene-pentacene monoadduct and a cis-bis[60]fullerene adduct of 6,13-diphenylpentacene.","Organic letters","2003","5","22","4199","4202","10.1021/ol035646l","","","0.71073","MoKα","","0.1374","0.0588","","","0.1289","0.1642","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507391","8.3509","0.0006","15.5894","0.0012","11.0918","0.0008","90","","98.646","0.002","90","","1427.58","0.18","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O2 -","- C36 H30 N4 O2 -","- C72 H60 N8 O4 -","2","0.5","","Teo, Tang-Lin; Vetrichelvan, Muthalagu; Lai, Yee-Hing","Infinite three-dimensional polymeric metalloporphyrin network via six-coordinate Zn(II) and two axial oxygen donors.","Organic letters","2003","5","22","4207","4210","10.1021/ol035665v","","","0.71073","MoKα","","0.0838","0.0535","","","0.1184","0.1304","","","","","","0.913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507392","22.812","0.003","22.812","0.003","11.423","0.003","90","","90","","90","","5944.4","1.9","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C36 H28 N4 O2 Zn -","- C36 H28 N4 O2 Zn -","- C288 H224 N32 O16 Zn8 -","8","0.5","","Teo, Tang-Lin; Vetrichelvan, Muthalagu; Lai, Yee-Hing","Infinite three-dimensional polymeric metalloporphyrin network via six-coordinate Zn(II) and two axial oxygen donors.","Organic letters","2003","5","22","4207","4210","10.1021/ol035665v","","","0.71073","MoKα","","0.1022","0.0593","","","0.1184","0.1338","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507393","5.408","0.0011","8.242","0.002","13.494","0.003","96.4","0.03","97.35","0.03","104.99","0.03","569.6","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H24 O8 S2 -","- C21 H24 O8 S2 -","- C21 H24 O8 S2 -","1","1","","Díez, David; Benéitez, M Templo; Marcos, Isidro S.; Garrido, N. M.; Basabe, P.; Sanz, F.; Broughton, Howard B.; Urones, Julio G.","Chemistry of epoxysulfones: straightforward synthesis of versatile chiral building blocks.","Organic letters","2003","5","23","4361","4364","10.1021/ol035701q","","","1.5418","CuKα","","0.0913","0.0405","","0.0665","0.05","","","","0.769","0.955","0.955","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507394","15.814","0.003","10.55","0.002","10.919","0.002","90","","128.76","0.03","90","","1420.5","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H16 O5 S -","- C14 H16 O5 S -","- C56 H64 O20 S4 -","4","1","","Díez, David; Benéitez, M Templo; Marcos, Isidro S.; Garrido, N. M.; Basabe, P.; Sanz, F.; Broughton, Howard B.; Urones, Julio G.","Chemistry of epoxysulfones: straightforward synthesis of versatile chiral building blocks.","Organic letters","2003","5","23","4361","4364","10.1021/ol035701q","","","1.5418","CuKα","","0.0797","0.0649","","0.1971","0.1657","","","","1.088","0.983","0.983","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507395","9.8786","0.0013","18.626","0.002","13.562","0.0017","90","","101.777","0.003","90","","2442.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl O2 -","- C13 H13 Cl O2 -","- C104 H104 Cl8 O16 -","8","2","","Ma, Shengming; Wu, Bin; Zhao, Shimin","Mild and efficient synthesis of (Z)-alpha-chloroalkylidene-beta-lactones via the PdCl2-catalyzed cyclocarbonylation of 2-alkynols.","Organic letters","2003","5","23","4429","4432","10.1021/ol0357245","","","0.71073","MoKα","","0.1205","0.0502","","","0.0963","0.1155","","","","","","0.806","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507396","30.575","0.004","6.3076","0.0009","16.685","0.002","90","","115.39","0.003","90","","2907","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Cl O2 -","- C15 H17 Cl O2 -","- C120 H136 Cl8 O16 -","8","1","","Ma, Shengming; Wu, Bin; Zhao, Shimin","Mild and efficient synthesis of (Z)-alpha-chloroalkylidene-beta-lactones via the PdCl2-catalyzed cyclocarbonylation of 2-alkynols.","Organic letters","2003","5","23","4429","4432","10.1021/ol0357245","","","0.71073","MoKα","","0.1003","0.0613","","","0.1314","0.1489","","","","","","0.893","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507397","9.1307","0.0005","15.8717","0.0008","23.0328","0.0012","103.02","0.001","97.18","0.001","97.46","0.001","3183.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H15 O9 Ru4 S2 -","- C29 H15 O9 Ru4 S2 -","- C116 H60 O36 Ru16 S8 -","4","2","","Wang, Fuke; Lai, Yee-Hing; Han, Ming Yong","Post-coordination of multinuclear transitional metal clusters to azulene-based polymers: a novel strategy for tuning properties in π-conjugated polymers","Organic Letters","2003","5","25","4791","4794","10.1021/ol0357346","","","0.71073","MoKα","","0.0857","0.0633","","","0.1538","0.165","","","","","","1.09","","","","has coordinates","218685","2020-10-21","18:00:00",""
"1507398","21.859","0.002","21.859","0.002","4.215","0.001","90","","90","","90","","2014","0.5","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C7 H9 Br N4 O3 -","- C7 H9 Br N4 O3 -","- C56 H72 Br8 N32 O24 -","8","1","","Garnier, Ethel; Guillard, Jérôme; Pasquinet, Eric; Suzenet, Franck; Poullain, Didier; Jarry, Christian; Léger, Jean-Michel; Lebret, Bruno; Guillaumet, Gérald","Highly diastereoselective synthesis of C6-functionalized dihydroimidazotriazines.","Organic letters","2003","5","24","4595","4598","10.1021/ol035743e","","","1.5418","CuKα","","0.0481","0.0308","","","0.0719","0.0812","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507399","13.153","0.002","15.005","0.003","14.196","0.003","90","","110.845","0.004","90","","2618.4","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H54 O2 -","- C74 H54 O2 -","- C148 H108 O4 -","2","0.5","","Duong, Hieu M.; Bendikov, Michael; Steiger, Daniel; Zhang, Qichun; Sonmez, Gursel; Yamada, Jeffrey; Wudl, Fred","Efficient synthesis of a novel, twisted and stable, electroluminescent ""twistacene"".","Organic letters","2003","5","23","4433","4436","10.1021/ol035751v","","","0.71073","MoKα","","0.2848","0.102","","","0.2564","0.3759","","","","","","0.992","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507400","13.088","0.001","10.022","0.001","24.198","0.003","90","","105.15","0.01","90","","3063.7","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","2","","Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.","Intramolecular aromatic nucleophilic substitution of the benzimidazole-activated nitro group.","Organic letters","2003","5","25","4795","4798","10.1021/ol035761w","","","0.71073","MoKα","","0.0708","0.04","","0.0991","0.0883","","","","1.034","1.122","1.122","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507401","17.956","0.002","20.546","0.003","12.9986","0.0016","90","","90","","90","","4795.5","1.1","213","2","213","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H28 N2 O6 -","- C27 H28 N2 O6 -","- C216 H224 N16 O48 -","8","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.0941","0.0521","","","0.1272","0.1503","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507402","8.26","0.001","16.714","0.003","26.608","0.006","90","","90","","90","","3673.4","1.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 N3 O7 -","- C41 H45 N3 O7 -","- C164 H180 N12 O28 -","4","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.1155","0.0534","","","0.1121","0.1364","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507403","9.4799","0.0005","17.1466","0.0009","23.3272","0.0013","90","","90","","90","","3791.8","0.4","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N3 O8 -","- C41 H43 N3 O8 -","- C164 H172 N12 O32 -","4","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.0897","0.0718","","","0.1741","0.1864","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507404","13.6681","0.0018","14.992","0.002","17.274","0.002","90","","90","","90","","3539.7","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 N3 O7 -","- C40 H41 N3 O7 -","- C160 H164 N12 O28 -","4","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.092","0.063","","","0.1433","0.1567","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507405","8.7099","0.0001","8.5749","0.0001","17.4951","0.0003","90","","99.11","0.001","90","","1290.17","0.03","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H40 O5 Si2 -","- C22 H40 O5 Si2 -","- C44 H80 O10 Si4 -","2","1","","Yu, Ming; Pagenkopf, Brian L.","Allylation of donor–acceptor cyclopropanes.","Organic letters","2003","5","24","4639","4640","10.1021/ol0357898","","","0.71073","MoKα","","0.0494","0.0423","","","0.1034","0.1083","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507406","9.5871","0.0015","21.16","0.004","11.2517","0.0016","90","","90.709","0.012","90","","2282.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O9 -","- C22 H28 O9 -","- C88 H112 O36 -","4","1","","Caussanel, Franck; Deslongchamps, Pierre; Dory, Yves L.","Comparative effects of conjugated and deconjugated isomeric enones on the transannular Diels-Alder reaction.","Organic letters","2003","5","25","4799","4802","10.1021/ol035791z","","","1.54178","CuKα","","0.0504","0.0457","","","0.1168","0.1202","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507407","10.3173","0.0016","12.3785","0.0017","12.5477","0.0017","110.479","0.01","93.757","0.011","104.671","0.012","1431.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 I4 N4 Pd2 -","- C54 H76 I4 N4 Pd2 -","- C54 H76 I4 N4 Pd2 -","1","0.5","","Ma, Yudao; Song, Chun; Jiang, Wei; Xue, Guoping; Cannon, John F.; Wang, Xiaomei; Andrus, Merritt B.","Borylation of aryldiazonium ions with N-heterocyclic carbene-palladium catalysts formed without added base.","Organic letters","2003","5","24","4635","4638","10.1021/ol035857q","","","0.71073","MoKα","","0.0405","0.0298","","","0.0739","0.0789","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507408","15.94","0.0018","15.94","0.0018","26.756","0.003","90","","90","","90","","6798.3","1.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C54 H76 Cl4 N4 Pd2 -","- C54 H76 Cl4 N4 Pd2 -","- C216 H304 Cl16 N16 Pd8 -","4","0.5","","Ma, Yudao; Song, Chun; Jiang, Wei; Xue, Guoping; Cannon, John F.; Wang, Xiaomei; Andrus, Merritt B.","Borylation of aryldiazonium ions with N-heterocyclic carbene-palladium catalysts formed without added base.","Organic letters","2003","5","24","4635","4638","10.1021/ol035857q","","","0.71073","MoKα","","0.0654","0.0424","","","0.0968","0.1104","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507409","10.1436","0.0011","8.0346","0.0006","29.122","0.004","90","","96.601","0.01","90","","2357.7","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N3 O4 -","- C28 H23 N3 O4 -","- C112 H92 N12 O16 -","4","1","","Renaudet, Olivier; Reymond, Jean-Louis","Iterative oxime bond chemistry leads to protease inhibitors.","Organic letters","2003","5","24","4693","4696","10.1021/ol035867r","","","0.71073","MoKα","","0.0962","0.0578","","","0.1401","0.1616","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507410","10.2388","0.0008","11.3897","0.001","12.7626","0.001","85.466","0.01","73.957","0.009","76.834","0.01","1392.6","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N4 O7 -","- C31 H28 N4 O7 -","- C62 H56 N8 O14 -","2","1","","Renaudet, Olivier; Reymond, Jean-Louis","Iterative oxime bond chemistry leads to protease inhibitors.","Organic letters","2003","5","24","4693","4696","10.1021/ol035867r","","","0.71073","MoKα","","0.0789","0.0465","","","0.1117","0.1218","","","","","","0.868","","","","has coordinates","301775","2025-08-18","14:03:04",""
"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",""
"1507412","25.73","0.002","10.4622","0.0007","18.785","0.002","90","","103.683","0.004","90","","4913.3","0.7","173.2","","173.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 N4 O2 Ti -","- C52 H70 N4 O2 Ti0.5 -","- C208 H280 N16 O8 Ti2 -","4","0.5","","Zhang, Zhe; Schafer, Laurel L.","Anti-Markovnikov intermolecular hydroamination: a bis(amidate) titanium precatalyst for the preparation of reactive aldimines.","Organic letters","2003","5","24","4733","4736","10.1021/ol0359214","","","0.7107","MoKα","","0.0793","0.041","","0.1264","0.052","","","","0.967","","","0.967","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507413","9.6272","0.0009","8.7501","0.0006","30.305","0.002","90","","90.34","0.01","90","","2552.8","0.3","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","2","","White, James D.; Wang, Guoqiang; Quaranta, Laura","Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition.","Organic letters","2003","5","26","4983","4986","10.1021/ol035939e","","","1.54184","CuKα","","0.0491","0.0445","","","0.1235","0.1299","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507414","9.4202","0.0008","6.8832","0.0006","12.5381","0.0009","90","","101.54","0.009","90","","796.55","0.12","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","White, James D.; Wang, Guoqiang; Quaranta, Laura","Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition.","Organic letters","2003","5","26","4983","4986","10.1021/ol035939e","","","1.54184","CuKα","","0.0334","0.0331","","","0.0874","0.0878","","","","","","1.078","","","","has coordinates","288313","2023-12-14","15:20:50",""
"1507415","9.378","0.0011","10.968","0.0012","13.966","0.001","90","","90","","90","","1436.5","0.3","293","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","White, James D.; Wang, Guoqiang; Quaranta, Laura","Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition.","Organic letters","2003","5","26","4983","4986","10.1021/ol035939e","","","1.54184","CuKα","","0.037","0.034","","","0.091","0.0933","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507416","6.6578","0.0004","13.1759","0.0009","14.5584","0.001","87.486","0.001","84.603","0.001","76.158","0.001","1234.21","0.14","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H42 O5 -","- C26 H42 O5 -","- C52 H84 O10 -","2","1","","Hsu, Day-Shin; Liao, Chun-Chen","Total syntheses of sesterpenic acids: refuted (+/-)-bilosespenes A and B.","Organic letters","2003","5","24","4741","4743","10.1021/ol035944i","","","0.71073","MoKα","","0.0829","0.0565","","","0.1558","0.1702","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1508974","5.428","","5.428","","5.428","","90","","90","","90","","159.926","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Silver gallium zinc sulfide (0.08/0.08/0.84/1)","","- Ag0.08 Ga0.08 S Zn0.84 -","- Ag0.08 Ga0.08 S Zn0.84 -","- Ag0.32 Ga0.32 S4 Zn3.36 -","4","0.0416667","","Miksovsky, M.A.; Robbins, M.","Preparation of and phase relationships in systems of the type Zn S - M(I) M(III) S2 where M(I)= Cu, Ag and M(III)= In, Ga, Al","Journal of Solid State Chemistry","1972","5","","462","466","10.1016/0022-4596(72)90094-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509114","5.42","","5.42","","5.42","","90","","90","","90","","159.22","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Silver aluminum zinc sulfide (0.08/0.08/0.84/1)","","- Ag0.08 Al0.08 S Zn0.84 -","- Ag0.08 Al0.08 S Zn0.84 -","- Ag0.32 Al0.32 S4 Zn3.36 -","4","0.0416667","","Robbins, M.; Miksovsky, M.A.","Preparation of and phase relationships in systems of the type Zn S - M(I) M(II) S2 where M(I)= Cu, Ag and M(III)= In, Ga, Al","Journal of Solid State Chemistry","1972","5","","462","466","10.1016/0022-4596(72)90094-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509130","6.271","","6.271","","12.5024","","90","","90","","90","","491.662","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Silver copper indium telluride (0.5/1.5/2/4)","","- Ag0.5 Cu1.5 In2 Te4 -","- Ag0.5 Cu1.5 In2 Te4 -","- Ag Cu3 In4 Te8 -","2","0.125","","Krishna Rao, D.; Kasiviswanathan, S.; Gopalam, B.S.V.","Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2","Journal of Materials Science","1986","5","","912","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509155","9.183","","9.392","","14.328","","95.85","","102.04","","114.3","","1076.77","","","","","","","","","","","","","3","P -1","-P 1","2","","Ag (Br8 (Mo Br)4 (Mo2 Br))","","- Ag Br13 Mo6 -","- Ag Br13 Mo6 -","- Ag2 Br26 Mo12 -","2","1","","Wang, P.; Zheng, Y.-Q.; Xu, W.","New catenary octahedro-hexamolybdenum cluster bromides: crystal structures of A Mo6 Br13 with A = Na, Ag","Solid State Sciences","2003","5","","573","578","10.1016/S1293-2558(03)00044-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509338","7.6","","7.6","","5.69","","90","","90","","120","","284.623","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ag Fe Te2 -","- Ag Fe Te2 -","- Ag3 Fe3 Te6 -","3","0.25","","Zhukova, T.B.; Zaslavskii, A.I.","The structure of Ag Fe Te2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1964","5","","246","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509412","6.4672","","6.4672","","12.6331","","90","","90","","90","","528.375","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Te2 -","- Ag In Te2 -","- Ag4 In4 Te8 -","4","0.25","","Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S.","Preparation and charecterization of the pseudobinary system Cu1-x Agx In Te2","Journal of Materials Science. Letters","1986","5","","912","914","10.1007/BF01729272","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509597","6.3879","","6.3879","","12.5969","","90","","90","","90","","514.02","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","(Ag1.5 Cu0.5) In2 Te4","","- Ag1.5 Cu0.5 In2 Te4 -","- Ag1.5 Cu0.5 In2 Te4 -","- Ag3 Cu In4 Te8 -","2","0.125","","Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S.","Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2","Journal of Materials Science","1986","5","","912","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509664","11.936","","7.801","","10.558","","90","","99.846","","90","","968.604","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ag2 (B8 O13)","","- Ag2 B8 O13 -","- Ag2 B8 O13 -","- Ag8 B32 O52 -","4","1","","Nowogrocki, G.; Penin, N.; Touboul, M.","Crystal structure of the second form of silver octoborate beta-(Ag2 B8 O13)","Solid State Sciences","2003","5","","559","564","10.1016/S1293-2558(03)00036-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509685","8.6415","","7.561","","12.4513","","90","","90","","90","","813.548","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ag2 ((U O2) (W O4)2)","","- Ag2 O10 U W2 -","- Ag2 O10 U W2 -","- Ag8 O40 U4 W8 -","4","0.5","","Krivovichev, S.V.; Burns, P.C.","A novel rigid uranyl tungstate sheet in the structures of Na2 ((U O2) W2 O8) and alpha- and beta-(Ag2 ((U O2) W2 O8))","Solid State Sciences","2003","5","","373","381","10.1016/S1293-2558(03)00009-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509686","8.4263","","7.4897","","12.927","","90","","95.443","","90","","812.15","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ag2 ((U O2) W2 O8)","","- Ag2 O10 U W2 -","- Ag2 O10 U W2 -","- Ag8 O40 U4 W8 -","4","1","","Krivovichev, S.V.; Burns, P.C.","A novel rigid uranyl tungstate sheet in the structures of Na2 ((U O2) W2 O8) and alpha- and beta-(Ag2 ((U O2) W2 O8))","Solid State Sciences","2003","5","","373","381","10.1016/S1293-2558(03)00009-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509710","4.231","","6.93","","9.526","","90","","129.48","","90","","215.585","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Ag2 S -","- Ag2 S -","- Ag8 S4 -","4","1","","Sadanaga, R.; Sueno, S.","X-ray study on the alpha - beta transition of Ag2 O","Mineralogical Journal (Japan)","1967","5","","124","148","10.2465/minerj1953.5.124","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509749","4.993","","4.993","","4.993","","90","","90","","90","","124.476","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Ag2.88 S I","","- Ag2.88 I S -","- Ag2.88 I S -","- Ag2.88 I S -","1","0.0104167","","Beyeler, H.U.; Perenthaler, E.; Schulz, H.","Structure investigations, atomic potentials, and phase transitions of the fast ionic conductor Ag3 S I","Solid State Ionics","1981","5","","493","496","10.1016/0167-2738(81)90300-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509786","6.054","","2.7997","","5.851","","90","","107.922","","90","","94.359","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ag2 Cu2 O4 -","- Ag2 Cu2 O4 -","- Ag2 Cu2 O4 -","1","0.125","","Casan-Pastor, N.; Fraxedas, J.; Gomez-Romero, P.; Oro, J.; Munoz-Rojas, D.","Structural study of electrochemically-synthesized Ag2 Cu2 O4. A novel oxide sensitive to irradiation","Crystal Engineering","2002","5","","459","467","10.1016/S1463-0184(02)00057-6","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509899","12.282","","12.282","","12.282","","90","","90","","90","","1852.71","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cs7.32 Ag4.68 (Al12 Si12 O48)","","- Ag4.68 Al12 Cs7.32 O48 Si12 -","- Ag4.6796 Al12 Cs7.32 O48 Si12 -","- Ag4.6796 Al12 Cs7.32 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","Crystal structure of dehydrated cesium and silver exchanged zeoliteA, Cs7.3 Ag4.7 - A","Bulletin of the Korean Chemical Society","1984","5","","117","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510010","4.89","","4.89","","4.89","","90","","90","","90","","116.93","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ag3 S I","","- Ag3 I S -","- Ag3 I S -","- Ag3 I S -","1","0.0208333","","Perenthaler, E.; Beyeler, H.U.; Schulz, H.","Structure investigations, atomic potentials, and phase transitions of the fast ionic conductor Ag3 S I","Solid State Ionics","1981","5","","493","496","10.1016/0167-2738(81)90300-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510040","4.813","","2.979","","5.215","","90","","90","","90","","74.772","","","","","","","","","","","","","2","P m m 2","P 2 -2","25","","Sb Ag3","","- Ag3 Sb -","- Ag3 Sb -","- Ag3 Sb -","1","0.25","","Pinsker, Z.G.; Li Hseng-Chung","An electron diffraction study of the Ag-Sb system in thin films","Kristallografiya","1960","5","","228","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510113","3.975","","3.975","","3.685","","90","","90","","90","","58.225","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Au Cu -","- Au Cu -","- Au2 Cu2 -","2","0.125","","Johansson, C.H.; Linde, J.O.","Roentgenographische und elektrische Untersuchungen des Cu Au-Systems","Annalen der Physik","1936","5","","1","48","10.1002/andp.18000050102","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510341","2.9182","","2.9182","","4.8033","","90","","90","","120","","35.424","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Au2 Cd)0.66","","- Au1.334 Cd0.666 -","- Au1.334 Cd0.666 -","- Au1.334 Cd0.666 -","1","0.0416667","","Massalski, T.B.","The lattice spacings of close-packed hexagonal Au - In, Au - Cd, and Au - Hg alloys","Acta Metallurgica","1957","5","","541","547","10.1016/0001-6160(57)90121-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510347","2.904","","2.904","","4.777","","90","","90","","120","","34.888","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Au4 In)0.4","","- Au1.6 In0.4 -","- Au1.6 In0.4 -","- Au1.6 In0.4 -","1","0.0416667","","Massalski, T.B.","The lattice spacings of close-packed hexagonal Au - In, Au - Cd, and Au - Hg alloys","Acta Metallurgica","1957","5","","541","547","10.1016/0001-6160(57)90121-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510683","5.807","","5.807","","3.142","","90","","90","","90","","105.952","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Fe Mo2 B2","","- B2 Fe Mo2 -","- B2 Fe Mo2 -","- B4 Fe2 Mo4 -","2","0.125","","Gladyshevskii, E.I.; Hladyshevskii, E.I.; Skolozdra, R.V.; Fedorov, T.F.; Kuz'ma, Yu.B.","Isothermal section of the molybdenum-iron-boron system","Poroshkovaya Metallurgiya","1966","5","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510780","3.097","","3.097","","3.315","","90","","90","","120","","27.536","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Nb B2","","- B2 Nb -","- B2 Nb -","- B2 Nb -","1","0.0416667","","Stadnyk, B.I.; Lakh, V.I.; Kuz'ma, Yu.B.; Voroshikov, Yu.V.","X-ray diffraction study of the system Nb-W-B","Soviet Powder Metallurgy and Metal Ceramics","1966","5","","491","493","10.1007/BF00775542","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511056","5.745","","3.203","","6.652","","90","","90","","90","","122.405","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Co W B","","- B Co W -","- B Co W -","- B4 Co4 W4 -","4","0.5","","Kuz'ma, Yu.B.; Chepiga, M.V.","X-ray investigation of the tungsten-iron-boron and tungsten-cobalt-boron systems","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1969","5","","40","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511310","5.397","","5.397","","4.537","","90","","90","","90","","132.152","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Re V B","","- B Re V -","- B Re V -","- B4 Re4 V4 -","4","0.125","","Kuz'ma, Yu.B.; Kovalyk, D.A.","Vanadium-rhenium-boron system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","1428","1431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511421","10.33","","10.369","","10.833","","103.64","","91.91","","109.51","","1054.89","","","","","","","","","","","","","3","P -1","-P 1","2","","Cs8 (B12 (B S3)6)","","- B18 Cs8 S18 -","- B18 Cs8 S18 -","- B18 Cs8 S18 -","1","0.5","","Krebs, B.; Hammerschmidt, A.; Kuchinke, J.","Rb8 (B12 (B S3)6) and Cs8 (B12 (B S3)6): the first thioborato-closo-dodecaborates","Solid State Sciences","2003","5","","189","196","10.1016/S1293-2558(02)00093-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511430","10.085","","10.036","","10.598","","104.74","","91.56","","109.08","","973.188","","","","","","","","","","","","","3","P -1","-P 1","2","","Rb8 (B12 (B S3)6)","","- B18 Rb8 S18 -","- B18 Rb8 S18 -","- B18 Rb8 S18 -","1","0.5","","Kuchinke, J.; Hammerschmidt, A.; Krebs, B.","Rb8 (B12 (B S3)6) and Cs8 (B12 (B S3)6): the first thioborato-closo-dodecaborates","Solid State Sciences","2003","5","","189","196","10.1016/S1293-2558(02)00093-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511503","10.85","","6.489","","5.173","","90","","90","","90","","364.208","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zn (B4 O7)","","- B4 O7 Zn -","- B4 O7 Zn -","- B16 O28 Zn4 -","4","0.25","","Huppertz, H.; Heymann, G.","Multianvil high-pressure/high-temperature preparation, crystal structure, and properties of the new oxoborate beta-Zn B4 O7","Solid State Sciences","2003","5","","281","289","10.1016/S1293-2558(02)00057-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511609","10.761","","10.761","","10.761","","90","","90","","90","","1246.11","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Fe23 B6","","- B6 Fe23 -","- B6 Fe23 -","- B24 Fe92 -","4","0.0208333","","Idzikowski, B.; Szajek, A.","Formation of the nanocrystalline cubic (Fe Ni)23 B6 phase in the nickel-rich Fe Ni Zr B alloys and its magnetic behaviour","Journal of Optoelectronics and Advanced Materials","2003","5","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511633","10.761","","10.761","","10.761","","90","","90","","90","","1246.11","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Ni23 B6","","- B6 Ni23 -","- B6 Ni23 -","- B24 Ni92 -","4","0.0208333","","Idzikowski, B.; Szajek, A.","Formation of the nanocrystalline cubic (Fe Ni)23 B6 phase in the nickel-rich Fe Ni Zr B alloys and its magnetic behaviour","Journal of Optoelectronics and Advanced Materials","2003","5","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511669","59.911","","11.52","","34.525","","90","","101.052","","90","","23386.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs3 (B7 O12)","","- B7 Cs3 O12 -","- B7 Cs3 O12 -","- B504 Cs216 O864 -","72","9","","Touboul, M.; Nowogrocki, G.; Penin, N.","Crystal structure of Cs3 B7 O12 containing a new large polyanion with 63 boron atoms","Solid State Sciences","2003","5","","795","803","10.1016/S1293-2558(03)00078-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511698","3.023","","3.023","","16.42","","90","","90","","90","","150.055","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Re3 V2 B5)1.6","","- B8 Re4.8 V3.2 -","- B8 Re4.8 V3.2 -","- B8 Re4.8 V3.2 -","1","0.03125","","Kovalyk, D.A.; Kuz'ma, Yu.B.","Vanadium-rhenium-boron system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","1428","1431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511736","3.128","","12.7","","2.984","","90","","90","","90","","118.541","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Fe2 Mo B4","","- B4 Fe2 Mo -","- B4 Fe2 Mo -","- B8 Fe4 Mo2 -","2","0.125","","Hladyshevskii, E.I.; Fedorov, T.F.; Gladyshevskii, E.I.; Skolozdra, R.V.; Kuz'ma, Yu.B.","Isothermal section of the molybdenum-iron-boron system","Poroshkovaya Metallurgiya","1966","5","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511737","5.753","","5.753","","3.161","","90","","90","","90","","104.62","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","W3.5 Fe2.5 B4","","- B4 Fe2.5 W3.5 -","- B4 Fe2.5 W3.5 -","- B4 Fe2.5 W3.5 -","1","0.0625","","Kuz'ma, Yu.B.; Chepiga, M.V.","X-ray investigation of the tungsten-iron-boron and tungsten-cobalt-boron systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","40","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511742","7.1316","","7.1316","","4.0505","","90","","90","","90","","206.007","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Gd B4","","- B4 Gd -","- B3.92 Gd -","- B15.68 Gd4 -","4","0.25","","Guerin, R.; Wiff, J.P.; Saillard, J.Y.; Bauer, J.; Garland, M.T.","The X-ray and electronic structures of Gd B4","Solid State Sciences","2003","5","","705","710","10.1016/S1293-2558(03)00081-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513606","34.2658","0.0014","34.2658","0.0014","21.8681","0.0014","90","","90","","120","","22236.3","1.9","173","","173","","","","","","","","","5","P 65","P 65","170","","","","- C126 H84 La3 N3 O21 -","- C126 H84 La3 N3 O21 -","- C756 H504 La18 N18 O126 -","6","1","","Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy","Chemical Science","2014","5","2","660","","10.1039/c3sc52177j","","","0.71075","MoKα","","","0.0905","","","","0.2573","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513607","11.6097","0.0008","13.0379","0.0009","17.3875","0.0012","68.361","0.004","72.03","0.004","64.875","0.004","2178.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MesDPBPhHNiSiH2Ph","","","- C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 -","- C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 -","- C106 H104 B2 Ni2 O P4 Si2 -","4","2","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si–H bond activation and hydrosilylation catalysis mediated by a nickel–borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.0467","0.0358","","","0.0831","0.0904","","","","","","1.036","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513608","12.1452","0.0006","20.3316","0.001","21.4335","0.0011","69.986","0.003","77.017","0.003","82.18","0.003","4835.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MesDPBPhHNiSiHPh2","","","- C60 H54 B Ni P2 Si -","- C60 H54 B Ni P2 Si -","- C240 H216 B4 Ni4 P8 Si4 -","4","2","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.0686","0.0442","","","0.1065","0.1192","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513609","12.9166","0.0008","15.2418","0.0009","22.8933","0.0015","90","","105.256","0.003","90","","4348.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MesDPBPhNiCHOC6H5","","","- C55.5 H45 B Ni O P2 -","- C55.5 H45 B Ni O P2 -","- C222 H180 B4 Ni4 O4 P8 -","4","1","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.071","0.0385","","","0.0935","0.1058","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513610","18.1014","0.0009","17.6622","0.0009","22.4297","0.0013","90","","91.229","0.006","90","","7169.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 N12 S Si6 U2 -","- C67 H98 N12 S Si6 U2 -","- C268 H392 N48 S4 Si24 U8 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.1668","0.1092","","","0.2646","0.3128","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513611","18.1375","0.0003","17.5716","0.0004","22.6446","0.0005","90","","90.9355","0.0019","90","","7216","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 N12 Se Si6 U2 -","- C67 H98 N12 Se Si6 U2 -","- C268 H392 N48 Se4 Si24 U8 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.0958","0.047","","","0.0629","0.0742","","","","","","0.99","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513612","22.725","0.004","19.812","0.0007","30.101","0.005","90","","145.19","0.04","90","","7736","8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.25 H51 N6 S2 Si3 U -","- C35.25 H51 N6 S2 Si3 U -","- C282 H408 N48 S16 Si24 U8 -","8","2","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.1129","0.0728","","","0.1718","0.1945","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513613","14.1895","0.0009","12.4113","0.0005","20.2745","0.001","90","","108.259","0.006","90","","3390.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 N12 S2 Si6 U2 -","- C60 H90 N12 S2 Si6 U2 -","- C120 H180 N24 S4 Si12 U4 -","2","0.5","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.101","0.0706","","","0.1627","0.182","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513614","10.5247","0.0003","18.506","0.0005","17.3041","0.0006","90","","91.612","0.003","90","","3368.99","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 N6 Na O Si3 U -","- C30 H45 N6 Na O Si3 U -","- C120 H180 N24 Na4 O4 Si12 U4 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.0959","0.0496","","","0.0799","0.0925","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513615","12.8807","0.0005","26.5173","0.0009","16.1073","0.0006","90","","105.997","0.004","90","","5288.6","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H45 K Mg N2 -","- C22 H45 K Mg N2 -","- C132 H270 K6 Mg6 N12 -","6","3","","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","","","1.5418","CuKα","","0.0729","0.0468","","","0.0923","0.0975","","","","","","0.805","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513616","25.779","0.003","25.754","0.003","16.135","0.002","90","","94.132","0.011","90","","10684","2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H180 K4 Mg4 N8 -","- C88 H180 K4 Mg4 N8 -","- C352 H720 K16 Mg16 N32 -","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","","","1.5418","CuKα","","0.1576","0.1495","","","0.3941","0.4047","","","","","","1.718","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513617","37.852","0.002","37.852","0.002","11.585","0.0006","90","","90","","120","","14374.9","1.3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H342 K6 Mg6 N12 -","- C168.024 H342 K6 Mg6 N12 -","- C504.072 H1026 K18 Mg18 N36 -","3","0.166667","","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","","","0.71073","MoKα","","0.1005","0.0621","","","0.1475","0.1734","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513618","37.8751","0.0015","37.8751","0.0015","11.7865","0.0004","90","","90","","120","","14642.8","1","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C189 H282 K6 Mg6 N12 -","- C189.3 H282 K6 Mg6 N12 -","- C567.9 H846 K18 Mg18 N36 -","3","0.166667","","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","","","1.5418","CuKα","","0.0991","0.0842","","","0.243","0.2627","","","","","","1.057","","","","has coordinates,has disorder","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",""
"1513620","6.9434","0.0014","18.717","0.004","9.893","0.002","90","","95.19","0.002","90","","1280.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 -","- C14 H18 N4 -","- C56 H72 N16 -","4","1","","Huh, Chan Woo; Aubé, Jeffrey","Aryl nitrenium ions from N-alkyl-N-arylamino-diazonium precursors: synthesis and reactivity","Chemical Science","2014","5","2","699","","10.1039/c3sc52805g","","","0.71073","MoKα","","0.0574","0.0538","","","0.1475","0.1503","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513621","10.677","0.003","12.392","0.003","18.636","0.004","90","","90.104","0.005","90","","2465.7","1.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","1, jonyj09","","","- C18 H31 B Cl2 N6 O3 P Rh -","- C18 H31 B Cl2 N6 O3 P Rh -","- C72 H124 B4 Cl8 N24 O12 P4 Rh4 -","4","1","","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium","Chemical Science","2014","5","2","804","","10.1039/c3sc52748d","","","0.71073","MoKα","","0.0622","0.0445","","","0.0836","0.0894","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513622","19.0753","0.0011","8.1941","0.0005","33.2922","0.0019","90","","105.977","0.001","90","","5002.7","0.5","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","3, jonyj11","","","- C19 H34 B Cl N6 O3 P Rh -","- C19 H34 B Cl N6 O3 P Rh -","- C152 H272 B8 Cl8 N48 O24 P8 Rh8 -","8","2","","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium","Chemical Science","2014","5","2","804","","10.1039/c3sc52748d","","","0.71073","MoKα","","0.1015","0.0614","","","0.1272","0.1446","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513623","10.165","0.0002","15.515","0.0004","18.2424","0.0004","90","","91.134","0.002","90","","2876.44","0.11","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cl2 N2 Th -","- C32 H36 Cl2 N2 Th -","- C128 H144 Cl8 N8 Th4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0264","0.0206","","","0.0374","0.0389","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513624","10.6471","0.0001","22.5946","0.0002","12.5757","0.0001","90","","95.444","0.001","90","","3011.65","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 I2 N2 U -","- C32 H36 I2 N2 U -","- C128 H144 I8 N8 U4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","1.54184","CuKα","","0.039","0.034","","","0.0924","0.1","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513625","10.5523","0.0002","18.0034","0.0005","23.5696","0.0007","90","","98.237","0.002","90","","4431.5","0.2","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H114 Cl2 K2 N4 O4 Th2 -","- C86 H114 Cl2 K2 N4 O4 Th2 -","- C172 H228 Cl4 K4 N8 O8 Th4 -","2","0.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0904","0.0648","","","0.14","0.1485","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513626","12.232","0.005","12.893","0.005","23.252","0.005","90","0.005","90","0.005","90","0.005","3667","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 K N3 Si2 Th -","- C38 H52 K N3 Si2 Th -","- C152 H208 K4 N12 Si8 Th4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","1.5418","CuKα","","0.0636","0.0617","","","0.1628","0.1645","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513627","10.112","0.005","11.224","0.005","18.141","0.005","99.53","0.005","99.536","0.005","108.352","0.005","1874.4","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 I N2 O2.5 U -","- C42 H56 I N2 O2.5 U -","- C84 H112 I2 N4 O5 U2 -","2","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C–H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.051","0.0473","","","0.1107","0.1127","","","","","","1.118","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513628","56.62","0.002","15.9509","0.0005","24.5801","0.001","90","","115.031","0.005","90","","20114.3","1.5","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 I N2 U -","- C32 H36 I N2 U -","- C896 H1008 I28 N56 U28 -","28","3.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.1237","0.0643","","","0.1452","0.1782","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513629","31.0498","0.0007","11.5475","0.0002","10.1812","0.0002","90","","90","","90","","3650.44","0.13","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","U2I4L","","","- C32 H36 I4 N2 U2 -","- C32 H36 I4 N2 U2 -","- C128 H144 I16 N8 U8 -","4","0.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0444","0.0374","","","0.0721","0.0746","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513630","12.764","0.003","13.196","0.003","20.352","0.004","83.78","0.03","72.12","0.03","66.51","0.03","2991.7","1.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 B2 F12 N14 Rh2 -","- C58 H40 B2 F12 N14 Rh2 -","- C116 H80 B4 F24 N28 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0592","0.0398","","","0.1043","0.1116","","","","","","0.996","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513631","13.104","0.003","13.114","0.003","22.82","0.005","73.63","0.03","86.21","0.03","66.42","0.03","3443.5","1.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 B2 F12 N14 Rh2 -","- C66 H44 B2 F12 N14 Rh2 -","- C132 H88 B4 F24 N28 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0752","0.056","","","0.1614","0.172","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513632","14.698","0.003","26.636","0.005","23.354","0.007","90","","123.59","0.02","90","","7616","4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 B2 F12 N16 Rh2 -","- C78 H54 B2 F12 N16 Rh2 -","- C312 H216 B8 F48 N64 Rh8 -","4","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0871","0.0575","","","0.1578","0.1709","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513633","50.745","0.01","19.81","0.004","13.614","0.003","90","","99.7","0.03","90","","13490","5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H53 B2 F8 N13 Rh2 -","- C68 H53 B2 F8 N13 Rh2 -","- C544 H424 B16 F64 N104 Rh16 -","8","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.107","0.0579","","","0.1589","0.1962","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513634","10.056","0.002","19.244","0.004","19.431","0.004","97.18","0.03","94.07","0.03","102.62","0.03","3621.8","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H63 B Cl F4 N15 Rh2 -","- C80 H63 B Cl F4 N15 Rh2 -","- C160 H126 B2 Cl2 F8 N30 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.41328","","","0.0786","0.0501","","","0.1547","0.1677","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513635","16.272","0.003","16.272","0.003","10.968","0.002","90","","90","","120","","2515","0.8","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H21 Co Li O6 -","- C15 H21 Co Li O6 -","- C90 H126 Co6 Li6 O36 -","6","0.166667","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.039","0.0314","","","0.0607","0.0615","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513636","11.333","0.002","12.275","0.002","12.46","0.002","104.286","0.002","107.918","0.002","110.038","0.002","1424.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Co2 Li2 O18 -","- C48 H78 Co2 Li2 O18 -","- C48 H78 Co2 Li2 O18 -","1","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.055","0.0492","","","0.1439","0.1486","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513637","12.815","0.004","9.767","0.003","21.674","0.007","90","","90.183","0.004","90","","2712.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Co2 Li2 O12 -","- C48 H78 Co2 Li2 O12 -","- C96 H156 Co4 Li4 O24 -","2","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.1173","0.0657","","","0.1356","0.1522","","","","","","1.069","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513638","9.7761","0.0011","16.9962","0.0019","17.5593","0.0019","90","","100.919","0.001","90","","2864.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Co3 O18 -","- C48 H78 Co3 O18 -","- C96 H156 Co6 O36 -","2","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.0383","0.0321","","","0.0812","0.084","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513639","22.8894","0.0013","12.5211","0.0006","15.4873","0.0007","90","","90.723","0.003","90","","4438.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H47 Cl N2 O6 -","- C52 H46 N2 O6 -","- C208 H184 N8 O24 -","4","0.5","","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","","0.0695","0.0587","","","0.1729","0.1816","","","","","","1.071","","","","has coordinates,has disorder","176435","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","301776","2025-08-18","14:47:44",""
"1513641","13.495","0.003","14.896","0.003","26.835","0.005","90","","99.08","0.03","90","","5326.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H64 Cl2 N2 O6 -","- C60.89 H63.78 Cl1.78 N2 O6 -","- C243.56 H255.12 Cl7.12 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","","0.1537","0.1354","","","0.2393","0.2485","","","","","","1.326","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513642","22.7","0.0018","22.7","0.0018","24.198","0.003","90","","90","","90","","12469","2","173","2","173","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C92 H84 Ag6 B6 Cl0 F24 N12 O24 -","- C92 H84 Ag6 B6 F24 N12 O24 -","- C368 H336 Ag24 B24 F96 N48 O96 -","4","0.5","","Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun","A controllable and dynamic assembly system based on discrete metallocages","Chemical Science","2014","5","2","483","","10.1039/c3sc52442f","","","0.71073","MoKα","","0.0714","0.0697","","","0.1946","0.1972","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513643","16.213","0.004","23.949","0.005","18.894","0.004","90","","105.065","0.004","90","","7084","3","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H84 Ag6 N12 O24 -","- C92 H84 Ag6 N12 O24 -","- C184 H168 Ag12 N24 O48 -","2","0.25","","Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun","A controllable and dynamic assembly system based on discrete metallocages","Chemical Science","2014","5","2","483","","10.1039/c3sc52442f","","","0.71073","MoKα","","0.1195","0.1028","","","0.3125","0.3321","","","","","","1.013","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1513644","6.4922","0.0013","12.393","0.002","17.163","0.003","90","","90","","90","","1380.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F5 N2 -","- C14 H14 B F5 N2 -","- C56 H56 B4 F20 N8 -","4","1","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.1757","0.108","","","0.2822","0.334","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513645","11.3274","0.0011","7.1032","0.0006","16.0113","0.0015","90","","90","","90","","1288.3","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 B F2 N2 -","- C14 H17 B F2 N2 -","- C56 H68 B4 F8 N8 -","4","0.5","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.0869","0.0526","","","0.1253","0.1736","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513646","10.0183","0.0007","27.574","0.002","9.4686","0.0006","90","","95.291","0.001","90","","2604.5","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H22 Cl Cu N4 O10 Re -","- C21 H20 Cl Cu N4 O10 Re -","- C84 H80 Cl4 Cu4 N16 O40 Re4 -","4","1","","Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R.","Modification of coordination networks through a photoinduced charge transfer process","Chemical Science","2014","5","2","539","","10.1039/c3sc52745j","","","0.6942","synchrotron","","0.0348","0.0292","","","0.0599","0.062","","","","","","0.91","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513647","9.593","0.002","11.372","0.002","15.779","0.003","90","","106.11","0.02","90","","1653.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F6 Li2 N4 O2 -","- C30 H44 F6 Li2 N4 O2 -","- C60 H88 F12 Li4 N8 O4 -","2","0.5","","Salomone, Antonio; Perna, Filippo M.; Falcicchio, Aurelia; Nilsson Lill, Sten O.; Moliterni, Anna; Michel, Reent; Florio, Saverio; Stalke, Dietmar; Capriati, Vito","Direct observation of a lithiated oxirane: a synergistic study using spectroscopic, crystallographic, and theoretical methods on the structure and stereodynamics of lithiated ortho-trifluoromethyl styrene oxide","Chemical Science","2014","5","2","528","","10.1039/c3sc52099d","","","0.71073","MoKα","","0.0452","0.0384","","","0.0964","0.1008","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513648","13.2615","0.0008","14.2777","0.0009","17.565","0.0015","101.998","0.004","96.776","0.006","91.48","0.006","3226.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 B F10 P -","- C34 H36 B F10 P -","- C136 H144 B4 F40 P4 -","4","2","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0689","0.0492","","","0.1141","0.1276","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513649","10.7438","0.0004","17.8343","0.0005","18.545","0.0005","90","","106.201","0.002","90","","3412.26","0.19","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 B F10 P -","- C34 H38 B F10 P -","- C136 H152 B4 F40 P4 -","4","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.071","0.0611","","","0.155","0.1644","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513650","10.8542","0.0005","13.8552","0.0005","14.0717","0.001","102.35","0.002","96.684","0.006","111.631","0.003","1876.71","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 B F10 N P -","- C39 H41 B F10 N P -","- C78 H82 B2 F20 N2 P2 -","2","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0554","0.045","","","0.1093","0.1172","","","","","","1.017","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513651","9.7184","0.0001","11.6807","0.0002","35.4816","0.0005","90","","90","","90","","4027.79","0.1","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H35 P -","- C22 H35 P -","- C176 H280 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.037","0.0356","","","0.0951","0.0964","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513652","38.3733","0.0007","9.777","0.0002","22.7086","0.0006","90","","117.195","0.001","90","","7577.9","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 B F10 N P -","- C39 H41 B F10 N P -","- C312 H328 B8 F80 N8 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0795","0.051","","","0.1232","0.1419","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513653","15.4992","0.0003","17.104","0.0003","15.7066","0.0003","90","","93.555","0.001","90","","4155.78","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 B Cl2 F15 P -","- C41 H37 B Cl2 F15 P -","- C164 H148 B4 Cl8 F60 P4 -","4","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","0.71073","MoKα","","0.1258","0.0798","","","0.1433","0.168","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513654","8.9476","0.0018","15.748","0.003","32.247","0.006","90","","90","","90","","4543.8","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H26 F15 Ge N5 O -","- C46 H26 F15 Ge N5 O -","- C184 H104 F60 Ge4 N20 O4 -","4","1","","Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng","Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations","Chemical Science","2014","5","3","916","","10.1039/c3sc52326h","","","0.71073","MoKα","","0.0606","0.0549","","","0.1192","0.1234","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513655","13.016","0.004","15.843","0.005","18.314","0.006","102.173","0.004","103.316","0.005","99.283","0.003","3503.9","1.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H32 F30 Ge2 N8 O2 -","- C80 H32 F30 Ge2 N8 O2 -","- C160 H64 F60 Ge4 N16 O4 -","2","1","","Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng","Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations","Chemical Science","2014","5","3","916","","10.1039/c3sc52326h","","","0.71073","MoKα","","0.0926","0.0789","","","0.162","0.1701","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513656","21.1256","0.0006","21.1256","0.0006","27.4118","0.0014","90","","90","","90","","12233.6","0.8","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C10.5 H7.5 Cl0.75 N0.75 O17.88 V3 -","- C10.51 H7.52 Cl0.75 N0.755 O17.88 V3 -","- C168.16 H120.32 Cl12 N12.08 O286.08 V48 -","16","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.41328","","","0.094","0.0593","","","0.1797","0.2085","","","","","","1.091","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513657","21.0482","0.0014","21.0482","0.0014","21.648","0.003","90","","90","","90","","9590.6","1.6","143","2","143","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C168 H144 Cl12 N12 O192 V48 -","8","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1681","0.0842","","","0.2089","0.2371","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513658","37.3416","0.0011","21.508","0.0006","36.8796","0.001","90","","109.771","0.001","90","","27873.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83.5 H114.24 Ba2.5 Cl3 N12 O68.13 V12 -","- C83.5 H114.27 Ba2.5 Cl3 N12 O68.18 V12 -","- C668 H914.16 Ba20 Cl24 N96 O545.44 V96 -","8","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","1.54178","CuKα","","0.0936","0.0742","","","0.1827","0.2061","","","","","","0.96","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513659","34.773","0.003","34.773","0.003","39.676","0.003","90","","90","","120","","41547","6","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H24 Cl6 O207.75 V30 -","- C72 H24 Cl6 O201.75 V30 -","- C432 H144 Cl36 O1210.5 V180 -","6","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1954","0.0877","","","0.1946","0.2524","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513660","21.1683","0.0005","21.1683","0.0005","27.3991","0.0015","90","","90","","90","","12277.5","0.8","396","2","396","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C88 H56 Cl6 N8 O139 V26.2 -","- C88 H56 Cl6 N8 O139.68 V26.2 -","- C176 H112 Cl12 N16 O279.36 V52.4 -","2","0.125","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1395","0.0791","","","0.2086","0.244","","","","","","1.144","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513661","10.3857","0.0005","12.5498","0.0006","13.3966","0.0006","80.96","0.002","86.06","0.002","89.464","0.002","1720.33","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 Fe N3 -","- C42 H45 Fe N3 -","- C84 H90 Fe2 N6 -","2","1","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","0.71073","MoKα","","0.0673","0.0467","","","0.1037","0.1142","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513662","21.344","0.005","14.623","0.005","23.427","0.005","90","","116.242","0.005","90","","6558","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Fe N3 -","- C40 H41 Fe N3 -","- C320 H328 Fe8 N24 -","8","2","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","1.54184","CuKα","","0.0423","0.0354","","","0.0848","0.0893","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513663","11.5779","0.0007","23.3582","0.0015","15.6591","0.001","90","","101.95","0.002","90","","4143.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H116 Fe2 N10 O -","- C96 H116 Fe2 N10 O -","- C192 H232 Fe4 N20 O2 -","2","1","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","0.71073","MoKα","","0.0428","0.0393","","","0.1041","0.1083","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513664","14.6683","0.0014","28.684","0.003","13.8712","0.0013","90","","90.199","0.002","90","","5836.2","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","07286b","","","- C19 H37 F6 Fe N5 O7 S2 -","- C19 H37 F6 Fe N5 O7 S2 -","- C152 H296 F48 Fe8 N40 O56 S16 -","8","2","","England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence","An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1204","1215","10.1039/C3SC52755G","","","0.71073","MoKα","","0.0788","0.0478","","","0.0984","0.1078","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513665","12.4264","0.0012","11.0862","0.001","20.4399","0.0019","90","","94.5","0.002","90","","2807.2","0.5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","07217a","","","- C19 H37 F6 Fe N5 O8 S2 -","- C19 H37 F6 Fe N5 O8 S2 -","- C76 H148 F24 Fe4 N20 O32 S8 -","4","1","","England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence","An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1204","1215","10.1039/C3SC52755G","","","0.71073","MoKα","","0.0455","0.0343","","","0.0836","0.0878","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513666","5.1209","0.0001","13.4823","0.0002","26.8004","0.0005","90","","90","","90","","1850.34","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1696","","","- C21 H17 N5 O3 -","- C21 H17 N5 O3 -","- C84 H68 N20 O12 -","4","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring–opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.0597","0.0373","","","0.065","0.0712","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513667","7.6612","0.0001","13.3624","0.0001","28.3524","0.0003","90","","90","","90","","2902.49","0.05","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","RajanBabu1748","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C112 H120 N24 O24 S8 -","8","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring–opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.053","0.0322","","","0.0769","0.0829","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513668","8.265","0.002","11.375","0.003","17.895","0.004","105.856","0.009","99.89","0.009","94.67","0.01","1579.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 N4 Si -","- C39 H36 N4 Si -","- C78 H72 N8 Si2 -","2","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.0986","0.0524","","","0.1001","0.1178","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513669","20.094","0.007","17.545","0.006","24.43","0.008","90","","112.452","0.005","90","","7960","5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Cl2 N2 O4 Si -","- C45 H42 Cl2 N2 O4 Si -","- C360 H336 Cl16 N16 O32 Si8 -","8","2","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.2916","0.2692","","","0.6166","0.6271","","","","","","3.589","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1513670","14.703","0.015","14.833","0.016","15.051","0.016","85.804","0.018","87.16","0.019","66.309","0.015","2997","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H38 O2 Si -","- C39 H38 O2 Si -","- C156 H152 O8 Si4 -","4","2","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.2153","0.1187","","","0.3035","0.3506","","","","","","1.145","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513671","38.218","0.008","19.296","0.004","8.514","0.0018","90","","90.665","0.004","90","","6278","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36.5 O3.25 Si -","- C33 H34 O2 Si -","- C264 H272 O16 Si8 -","8","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.0832","0.0599","","","0.1802","0.1886","","","","","","1.24","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513672","8.8447","0.0004","18.3363","0.0009","17.4324","0.0006","90","","114.902","0.002","90","","2564.3","0.2","100","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Si -","- C33 H36 Si -","- C132 H144 Si4 -","4","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","x-ray","0.71073","MoKα","K-L~3~","0.059","0.0478","","","0.1125","0.1196","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513673","11.5705","0.0005","12.2221","0.0003","13.6923","0.0003","111.408","0.001","105.64","0.001","97.431","0.001","1679.03","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 Cl4 N4 P4 -","- C26 H44 Cl4 N4 P4 -","- C52 H88 Cl8 N8 P8 -","2","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","","0.0687","0.0427","","","0.1035","0.1184","","","","","","1.014","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513674","18.4786","0.0014","10.3968","0.0007","16.676","0.0012","90","","109.266","0.003","90","","3024.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 Cl2 N4 P4 -","- C25 H42 Cl2 N4 P4 -","- C100 H168 Cl8 N16 P16 -","4","0.5","","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","","0.1345","0.0557","","","0.0978","0.1231","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513675","18.2251","0.0007","16.1902","0.0006","16.0587","0.0007","90","","115.528","0.002","90","","4275.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,3-bis[4-(N,N-dimethylamino)piridyl]-2,4-bis(trimethylsilyl)-cyclo-1,3- diphospha-2,4-diazenium bis-tetrachlorogallate","","- C21 H40 Cl10 Ga2 N6 P2 Si2 -","- C21 H40 Cl10 Ga2 N6 P2 Si2 -","- C84 H160 Cl40 Ga8 N24 P8 Si8 -","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","","0.051","0.035","","","0.0875","0.0934","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513676","11.1833","0.0003","16.4208","0.0004","19.4337","0.0005","67.276","0.001","82.19","0.001","83.223","0.001","3252.83","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H29 F3 N O3 P S Si -","- C16 H29 F3 N O3 P S Si -","- C96 H174 F18 N6 O18 P6 S6 Si6 -","6","3","","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","","0.1145","0.0522","","","0.1001","0.1225","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513677","8.7479","0.0003","10.5358","0.0004","42.6705","0.0014","90","","93.724","0.002","90","","3924.5","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 F3 N O3 P S Si -","- C16 H25 F3 N O3 P S Si -","- C128 H200 F24 N8 O24 P8 S8 Si8 -","8","2","","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","","0.1195","0.055","","","0.1172","0.136","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:44",""
"1513679","9.1199","0.0003","13.8435","0.0005","17.1181","0.0007","70.892","0.002","88.485","0.002","89.599","0.002","2041.39","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.81 H51.21 Mo N4 O3 P4 -","- C36.807 H51.208 Mo N4 O3 P4 -","- C73.614 H102.416 Mo2 N8 O6 P8 -","2","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","","0.0807","0.0463","","","0.1118","0.1217","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513680","9.0715","0.0004","18.1902","0.0006","18.4948","0.0007","90","","94.483","0.002","90","","3042.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Mo N4 O3 P4 -","- C27 H40 Mo N4 O3 P4 -","- C108 H160 Mo4 N16 O12 P16 -","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","","0.1145","0.0522","","","0.0897","0.1104","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513681","20.4707","0.0008","20.2868","0.0007","18.9919","0.0006","90","","110.519","0.002","90","","7386.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 N4 O7 P4 W2 -","- C31 H40 N4 O7 P4 W2 -","- C248 H320 N32 O56 P32 W16 -","8","2","","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","","0.116","0.0475","","","0.0798","0.1003","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513682","5.9362","0.0002","13.8472","0.0005","9.4","0.0003","90","","97.888","0.002","90","","765.37","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Mo N3 O3 -","- C12 H15 Mo N3 O3 -","- C24 H30 Mo2 N6 O6 -","2","0.5","","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","","0.0276","0.0231","","","0.046","0.0478","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513683","9.29","0.003","24.265","0.008","13.856","0.005","90","","106.244","0.006","90","","2998.8","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 B2 Mg N3 O5 -","- C27 H43 B2 Mg N3 O5 -","- C108 H172 B8 Mg4 N12 O20 -","4","1","","Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism","Chemical Science","2014","5","3","959","","10.1039/c3sc52793j","","","0.71073","MoKα","","0.1058","0.0538","","","0.1084","0.1318","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513684","10.4348","0.0011","19.441","0.002","14.262","0.0015","90","","99.963","0.002","90","","2849.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 Mg2 N6 O8 -","- C46 H68 B2 Mg2 N6 O8 -","- C92 H136 B4 Mg4 N12 O16 -","2","0.5","","Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism","Chemical Science","2014","5","3","959","","10.1039/c3sc52793j","","","0.71073","MoKα","","0.0643","0.0452","","","0.1178","0.1263","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513685","14.6186","0.0001","14.8584","0.0001","27.0913","0.0003","90.0175","0.0005","93.0811","0.0005","116.842","0.0004","5240.86","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H162 N2 O12 Se2 U2 -","- C120 H162 N2 O12 Se2 U2 -","- C240 H324 N4 O24 Se4 U4 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0457","0.0299","","","0.0571","0.0616","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513686","11.2872","0.0008","16.8161","0.0012","28.943","0.002","85.729","0.002","87.925","0.002","89.368","0.002","5474.5","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C123.5 H151.5 N2 O6 Se3.86 U2 -","- C123.5 H151.5 N2 O6 Se3.8622 U2 -","- C247 H303 N4 O12 Se7.7244 U4 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0379","0.0296","","","0.0752","0.0789","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513687","18.092","0.002","12.365","0.0006","28.315","0.003","90","0.007","118.117","0.012","90","0.008","5586.8","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H164 N2 O8 Se4.11 U2 -","- C130 H164 N2 O8 Se4.11 U2 -","- C260 H328 N4 O16 Se8.22 U4 -","2","0.5","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV–E–UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0711","0.0441","","","0.0754","0.0802","","","","","","1.573","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513688","20.544","0.0003","22.5155","0.0003","24.1171","0.0003","88.407","0.001","84.055","0.001","75.504","0.001","10742.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C236 H314 N4 O22 S8 U4 -","- C236 H314 N4 O22 S8 U4 -","- C472 H628 N8 O44 S16 U8 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.068","0.0428","","","0.098","0.1063","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513689","14.2992","0.0006","7.084","0.0003","13.4824","0.0006","90","","108.84","0.002","90","","1292.54","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C68 H56 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","1.54178","CuKα","","0.0418","0.0398","","","0.117","0.1194","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513690","14.4327","0.0005","11.8497","0.0004","8.9975","0.0003","90","","94.02","0.001","90","","1534.99","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 S2 -","- C42 H32 S2 -","- C84 H64 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.0529","0.0472","","","0.1298","0.135","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513691","13.689","0.002","7.3177","0.0012","17.167","0.003","90","","112.808","0.003","90","","1585.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 S2 -","- C42 H32 S2 -","- C84 H64 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.073","0.0483","","","0.1135","0.1261","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513692","7.9092","0.0014","8.0857","0.0014","10.8326","0.0019","91.725","0.004","107.227","0.004","105.087","0.004","634.55","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C34 H28 S2 -","1","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.0549","0.0449","","","0.1126","0.1196","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513693","7.2711","0.0003","11.9307","0.0005","29.9623","0.0013","95.055","0.003","95.38","0.004","95.045","0.003","2565.54","0.19","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","2","","Shi, Ke; Lei, Ting; Wang, Xiao-Ye; Wang, Jie-Yu; Pei, Jian","A bowl-shaped molecule for organic field-effect transistors: crystal engineering and charge transport switching by oxygen doping","Chemical Science","2014","5","3","1041","","10.1039/c3sc52701h","","","0.7107","MoKα","","0.0838","0.0576","","","0.1292","0.1415","","","","","","1.067","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513694","8.8131","0.0015","13.356","0.002","26.551","0.005","90","","90","","90","","3125.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trifluoro-1,4,7-trimethyl-1,4,7-triazonane-aluminium(III) hydrate","","- C9 H29 Al F3 N3 O4 -","- C9 H29 Al F3 N3 O4 -","- C72 H232 Al8 F24 N24 O32 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.1239","0.0791","","","0.1685","0.1957","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513695","13.42","0.004","8.871","0.002","13.542","0.003","90","","97.816","0.015","90","","1597.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trifluoro(1,4,7-trimethyl-1,4,7-triazacyclononane)gallium(III) tetrahydrate","","- C9 H29 F3 Ga N3 O4 -","- C9 H29 F3 Ga N3 O4 -","- C36 H116 F12 Ga4 N12 O16 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0762","0.0579","","","0.1238","0.1329","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513696","6.8679","0.001","20.187","0.004","12.014","0.002","90","","99.482","0.01","90","","1642.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trifluoro(1,4,7-trimethyl-1,4,7-triazonane-N,N'N"")indium(III)","","- C9 H29 F3 In N3 O4 -","- C9 H29 F3 In N3 O4 -","- C36 H116 F12 In4 N12 O16 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0254","0.0219","","","0.0441","0.046","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513697","6.7721","0.001","13.666","0.003","18.998","0.003","90","","96.106","0.01","90","","1748.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trifluoro(1-benzyl-4,7-dimethyl-1,4,7-triazonane-N,N'N"")indium(III) hydrate","","- C15 H27 F3 In N3 O1.2 -","- C15 H27 F3 In N3 O1.2 -","- C60 H108 F12 In4 N12 O4.8 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0251","0.022","","","0.0458","0.0476","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513698","12.128","0.005","7.185","0.002","15.695","0.006","90","","90.07","0.05","90","","1367.7","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trichloro-(1,4,7-trimethyl-1,4,7-triazonane-N,N',N"")aluminium(III)","","- C9 H21 Al Cl3 N3 -","- C9 H21 Al Cl3 N3 -","- C36 H84 Al4 Cl12 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0781","0.058","","","0.1066","0.1191","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513699","12.173","0.003","7.2253","0.001","15.696","0.006","90","","90.239","0.006","90","","1380.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)galliun(III)","","- C9 H21 Cl3 Ga N3 -","- C9 H21 Cl3 Ga N3 -","- C36 H84 Cl12 Ga4 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0244","0.0211","","","0.0521","0.0534","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513700","16.276","0.003","16.175","0.003","14.815","0.002","90","","105.595","0.002","90","","3756.7","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tribromo(1,4,7-trimethyl-1,4,7-triazacyclononane)indium(III) dichloromethane solvate","","- C10 H23 Br3 Cl2 In N3 -","- C10 H23 Br3 Cl2 In N3 -","- C80 H184 Br24 Cl16 In8 N24 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0706","0.0447","","","0.0801","0.0883","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513701","7.2893","0.0015","15.026","0.004","18.528","0.004","90","","100.924","0.015","90","","1992.6","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-benzyl-4,7-dimethyl-1,4,7-triazonane-N,N',N"")-trichloro-indium(III)","","- C15 H25 Cl3 In N3 -","- C15 H25 Cl3 In N3 -","- C60 H100 Cl12 In4 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0758","0.0532","","","0.0962","0.1073","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513702","12.979","0.002","12.979","0.002","13.565","0.004","90","","90","","120","","1978.9","0.7","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","tris(mu~2~-hydroxy)bis((1,4,7-trimethyl-1,4,7-triazacyclononane)- gallium(III)) bromide dichloromethane solvate","","- C21 H51 Br3 Cl6 Ga2 N6 O3 -","- C21 H51 Br3 Cl6 Ga2 N6 O3 -","- C42 H102 Br6 Cl12 Ga4 N12 O6 -","2","0.166667","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0542","0.0436","","","0.0912","0.097","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513703","7.997","0.005","7.997","0.005","18.178","0.007","90","","90","","120","","1006.8","1","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","tris(tetramethylammonium) (mu~2~-trifluoro-hexafluorodialuminate)","","- C12 H36 Al2 F9 N3 -","- C12 H36 Al2 F9 N3 -","- C24 H72 Al4 F18 N6 -","2","0.166667","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0631","0.0426","","","0.098","0.1073","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513704","5.512","0.003","10.789","0.007","14.89","0.009","88.566","0.012","81.672","0.012","83.072","0.009","869.7","0.9","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O5 -","- C19 H14 F3 N O5 -","- C38 H28 F6 N2 O10 -","2","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0454","","","","0.1266","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513705","22.067","0.011","6.117","0.003","29.455","0.015","90","","92.449","0.006","90","","3972","3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 F6 N O6 -","- C20 H13 F6 N O6 -","- C160 H104 F48 N8 O48 -","8","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0417","","","","0.114","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513706","5.877","0.004","11.649","0.008","12.864","0.008","87.422","0.012","81.769","0.012","83.004","0.014","864.8","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O5 -","- C19 H14 F3 N O5 -","- C38 H28 F6 N2 O10 -","2","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0401","","","","0.1097","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513707","10.5731","0.0007","28.9962","0.0019","13.1962","0.0009","90","","94.339","0.004","90","","4034.1","0.5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F6 N O6 -","- C20 H13 F6 N O6 -","- C160 H104 F48 N8 O48 -","8","2","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.059","","","","0.1363","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513708","24.2856","0.0005","12.7122","0.0003","9.1833","0.0002","90","","90","","90","","2835.1","0.11","170","2","170","2","","","","","","","","6","P n m a","-P 2ac 2n","62","iron(II) TMC thiocyanate triflate","","","- C19 F3 Fe N7 O3 S2 -","- C19 F3 Fe N7 O3 S2 -","- C76 F12 Fe4 N28 O12 S8 -","4","0.5","","Hong, Seungwoo; Lee, Yong-Min; Cho, Kyung-Bin; Seo, Mi Sook; Song, Dayoung; Yoon, Jihae; Garcia-Serres, Ricardo; Clémancey, Martin; Ogura, Takashi; Shin, Woonsup; Latour, Jean-Marc; Nam, Wonwoo","Conversion of high-spin iron(iii)‒alkylperoxo to iron(iv)‒oxo species via O‒O bond homolysis in nonheme iron models","Chemical Science","2014","5","1","156","","10.1039/c3sc52236a","","","0.71073","MoKα","","0.0769","0.068","","","0.2209","0.2413","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513709","12.5266","0.0011","15.2138","0.0013","25.537","0.002","90","","92.315","0.002","90","","4862.8","0.7","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","holkc16","","","- C49 H78 Fe K N2 O3 -","- C49 H78 Fe K N2 O3 -","- C196 H312 Fe4 K4 N8 O12 -","4","1","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.0889","0.0484","","","0.1132","0.1308","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513710","37.332","0.002","9.7164","0.0006","23.2858","0.0013","90","","111.588","0.001","90","","7854","0.8","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","holkc14","","","- C82 H116 Fe2 K2 N4 O2 -","- C82 H116 Fe2 K2 N4 O2 -","- C328 H464 Fe8 K8 N16 O8 -","4","0.5","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.1183","0.0594","","","0.1234","0.1457","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513711","19.4155","0.0011","26.1583","0.0015","20.9929","0.0012","90","","116.455","0.001","90","","9545.3","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","holkc20","","","- C105 H142 Fe2 K2 N4 O5 -","- C105 H142 Fe2 K2 N4 O5 -","- C420 H568 Fe8 K8 N16 O20 -","4","1","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.1092","0.053","","","0.1326","0.17","","","","","","0.912","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513712","18.0913","0.0018","7.5678","0.0008","22.361","0.002","90","","93.183","0.005","90","","3056.8","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Zhang, Qi; Nguyen, Hien M.","Rhodium-catalyzed regioselective opening of vinyl epoxides with Et3N·3HF reagent – formation of allylic fluorohydrins","Chemical Science","2014","5","1","291","","10.1039/c3sc51949j","","","0.71073","MoKα","","0.0602","0.0353","","","0.0762","0.0856","","","","","","1.015","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513713","9.9429","0.0008","22.741","0.0016","10.5329","0.0007","90","","111.939","0.007","90","","2209.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H55 Cu6 F N12 O5 -","- C34 H55 Cu6 F N12 O5 -","- C68 H110 Cu12 F2 N24 O10 -","2","0.5","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1089","0.0525","","","0.1138","0.1378","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513714","19.873","0.0005","19.873","0.0005","9.9681","0.0004","90","","90","","120","","3409.34","0.18","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H52 Cl3 Cu6 N13 O6 -","- C33 H52.06 Cl3 Cu6 N13 O6 -","- C99 H156.18 Cl9 Cu18 N39 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0495","0.0356","","","0.0734","0.0813","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513715","20.1726","0.0008","20.1726","0.0008","10.1341","0.0007","90","","90","","120","","3571.4","0.3","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1633","0.0918","","","0.2329","0.3015","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513716","19.8969","0.0003","19.8969","0.0003","9.9518","0.0003","90","","90","","120","","3411.95","0.13","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0748","0.0662","","","0.1915","0.2006","","","","","","1.088","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513717","55.3514","0.0013","16.6288","0.0004","32.7345","0.0006","90","","115.557","0.003","90","","27181.7","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H162 Cr7 F8 N Ni O35 -","- C92 H162 Cr7 F8 N Ni O35 -","- C736 H1296 Cr56 F64 N8 Ni8 O280 -","8","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.1721","0.1468","","","0.3671","0.385","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513718","25.0881","0.0011","16.4808","0.0007","33.9931","0.0015","90","","91.685","0.004","90","","14049.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H167 Cr7 F8 N2 Ni O34 -","- C94 H167 Cr7 F8 N2 Ni O34 -","- C376 H668 Cr28 F32 N8 Ni4 O136 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.166","0.0865","","","0.2005","0.2445","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513719","16.2899","0.0008","30.037","0.002","29.588","0.002","90","","97.377","0.006","90","","14357.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H175 Cr7 F8 N2 Ni O34 -","- C98 H175 Cr7 F8 N2 Ni O34 -","- C392 H700 Cr28 F32 N8 Ni4 O136 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","0.71073","MoKα","","0.1672","0.0981","","","0.2565","0.3055","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513720","42.289","0.0006","42.289","0.0006","31.7707","0.0007","90","","90","","90","","56817.4","1.7","150","2","150","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C359 H630 Cr28 Cu4 F32 N4 Ni4 O141 -","- C359 H626 Cr28 Cu4 F32 N4 Ni4 O141 -","- C1436 H2504 Cr112 Cu16 F128 N16 Ni16 O564 -","4","0.25","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","0.6889","synchrotron","","0.1175","0.0873","","","0.2448","0.2821","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513721","39.9717","0.0015","48.6332","0.0016","43.5363","0.0015","90","","91.283","0.003","90","","84611","5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 -","- C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 -","- C2196 H3720 Cr168 F192 N24 Ni24 O828 Zn16 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.1914","0.1383","","","0.3749","0.4179","","","","","","1.577","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513722","17.135","0.003","9.4044","0.0019","20.723","0.004","90","","101.54","0.03","90","","3271.9","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H56 Si6 -","- C24 H56 Si6 -","- C96 H224 Si24 -","4","0.5","","Tibbelin, Julius; Wallner, Andreas; Emanuelsson, Rikard; Heijkenskjöld, Filip; Rosenberg, Martin; Yamazaki, Kaoru; Nauroozi, Djawed; Karlsson, Leif; Feifel, Raimund; Pettersson, Roland; Baumgartner, Judith; Ott, Sascha; Ottosson, Henrik","1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation","Chemical Science","2014","5","1","360","","10.1039/c3sc52389f","","","0.71073","MoKα","","0.0332","0.0311","","","0.0819","0.0837","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513723","16.6223","0.0005","22.9236","0.0006","29.6344","0.0008","71.154","0.002","78.075","0.002","73.175","0.002","10149.1","0.5","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C79.72 H78.59 F48 N14.86 P8 -","- C79.73 H78.595 F48 N14.865 P8 -","- C318.92 H314.38 F192 N59.46 P32 -","4","2","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54178","CuKα","","0.1562","0.0983","","","0.2597","0.3027","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513724","16.475","0.004","18.609","0.005","25.278","0.006","105.106","0.008","99.281","0.007","93.008","0.006","7348","3","100","2","99.97","","","","","","","","","6","P -1","-P 1","2","","","","- C125 H139 F48 N15 O15 P8 -","- C125 H139 F48 N15 O15 P8 -","- C250 H278 F96 N30 O30 P16 -","2","1","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54178","CuKα","","0.0814","0.0668","","","0.1811","0.1899","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513725","20.0951","0.0004","31.3942","0.0006","24.2862","0.0005","90","","94.082","0.001","90","","15282.6","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H118 F48 N8 O14 P8 -","- C110 H118 F48 N8 O14 P8 -","- C440 H472 F192 N32 O56 P32 -","4","1","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54184","CuKα","","0.1067","0.0893","","","0.2511","0.262","","","","","","1.075","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513726","41","0.003","41","0.003","32.818","0.002","90","","90","","90","","55167","7","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","U124P32","","","- K19 O223.5 P8 U31 -","- K19 O223.5 P8 U31 -","- K152 O1788 P64 U248 -","8","1","","Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C.","Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters","Chemical Science","2014","5","1","303","","10.1039/c3sc52357h","","","0.71073","MoKα","","0.0993","0.0606","","","0.1551","0.1799","","","","","","1.191","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513727","14.515","0.002","15.214","0.002","13.3114","0.0017","90","","99.134","0.003","90","","2902.3","0.7","113","2","113","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","0.5","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.0617","0.0448","","","0.1147","0.146","","","","","","1.145","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513728","9.251","0.003","18.592","0.006","22.277","0.007","90","","94.409","0.009","90","","3820","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cl2 N2 O2 -","- C50 H34 Cl2 N2 O2 -","- C200 H136 Cl8 N8 O8 -","4","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.1697","0.0946","","","0.2204","0.2868","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513729","8.266","0.0009","18.71","0.002","21.637","0.002","90","","90.739","0.003","90","","3346","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 O3 -","- C45 H40 O3 -","- C180 H160 O12 -","4","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.2344","0.1079","","","0.2201","0.3123","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513730","8.5044","0.0001","19.248","0.0002","20.4545","0.0003","82.0704","0.0008","78.1032","0.0005","82.3308","0.0007","3225.9","0.07","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H73 Cl -","- C90 H73 Cl -","- C180 H146 Cl2 -","2","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.8","synchrotron","","","0.0673","","","","0.1817","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513731","17.177","0.003","19.182","0.003","24.723","0.004","90","","90","","90","","8146","2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C288 H264 B8 F48 N88 O52 Pd8 S16 -","8","1","","Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias","Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.)","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","169","","10.1039/C3SC52367E","","","0.71073","MoKα","","0.0727","0.0495","","","0.1298","0.1474","","","","","","1.069","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513732","8.9819","0.0006","10.28","0.0009","13.008","0.0011","86.49","0.007","73.036","0.007","79.688","0.007","1130.21","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C48 H54 N6 O10 -","2","1","","Zhang, Yan; Wu, Qifan; Cui, Sunliang","Rh(iii)-catalyzed C–H activation–desymmetrization of diazabicycles with arenes: facile synthesis of functionalized cyclopentenes","Chemical Science","2014","5","1","297","","10.1039/c3sc52524d","","","0.71073","MoKα","","0.0678","0.0448","","","0.0976","0.1118","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513762","11.7926","0.0008","9.4147","0.0006","14.555","0.001","90","","101.906","0.001","90","","1581.19","0.18","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H33 Cl3 N2 Pd -","- C34 H33 Cl3 N2 Pd -","- C68 H66 Cl6 N4 Pd2 -","2","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang","Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes","Polymer Chemistry","2014","5","4","1210","","10.1039/c3py01092a","","","0.71073","MoKα","","0.0227","0.0213","","","0.0564","0.0575","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513763","12.0765","0.001","19.5745","0.0017","12.7667","0.0011","90","","90.899","0.001","90","","3017.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl N2 Pd -","- C35 H35 Cl N2 Pd -","- C140 H140 Cl4 N8 Pd4 -","4","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang","Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes","Polymer Chemistry","2014","5","4","1210","","10.1039/c3py01092a","","","0.71073","MoKα","","0.0367","0.0324","","","0.1213","0.1274","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513764","9.4659","0.0009","18.1651","0.0017","18.9183","0.0017","68.501","0.001","75.588","0.001","84.629","0.001","2931.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H90 Cl18 N8 Pd4 -","- C119 H90 Cl18 N8 Pd4 -","- C119 H90 Cl18 N8 Pd4 -","1","0.5","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang","Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes","Polymer Chemistry","2014","5","4","1210","","10.1039/c3py01092a","","","0.71073","MoKα","","0.0948","0.0632","","","0.1963","0.2247","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513765","14.3465","0.0004","14.4684","0.0004","14.5968","0.0004","66.44","0.001","68.64","0.002","86.12","0.002","2575.74","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Fe2 Ru Si2 -","- C32 H30 Fe2 Ru Si2 -","- C128 H120 Fe8 Ru4 Si8 -","4","2","","Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian","Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation","Polymer Chemistry","2014","5","4","1264","","10.1039/c3py01232h","","","0.71073","MoKα","","0.0287","0.022","","","0.0496","0.0526","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513766","12.4947","0.0004","8.9461","0.0003","31.2176","0.0009","90","","100.039","0.002","90","","3436.04","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Fe Ru Si -","- C21 H20 Fe Ru Si -","- C168 H160 Fe8 Ru8 Si8 -","8","2","","Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian","Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation","Polymer Chemistry","2014","5","4","1264","","10.1039/c3py01232h","","","0.71073","MoKα","","0.0515","0.0402","","","0.1067","0.111","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513767","7.1295","0.0003","8.9916","0.0004","7.2907","0.0003","90","","109.503","0.002","90","","440.56","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H9 Br Ru -","- C10 H9 Br Ru -","- C20 H18 Br2 Ru2 -","2","0.5","","Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian","Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation","Polymer Chemistry","2014","5","4","1264","","10.1039/c3py01232h","","","0.71073","MoKα","","0.0188","0.0165","","","0.0349","0.0353","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513791","23.9712","0.0005","10.7966","0.0003","25.4621","0.0005","90","","95.78","0.002","90","","6556.3","0.3","142.9","","142.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Cl6 O4 Os P3 S -","- C70 H66 Cl6 O4 Os P3 S -","- C280 H264 Cl24 O16 Os4 P12 S4 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0439","0.0325","","","0.0668","0.0705","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513792","18.4337","0.0003","19.2879","0.0003","20.2958","0.0004","90","","97.813","0.001","90","","7149.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C258 H228 Al8 Cl48 O12 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0585","0.0478","","","0.1448","0.151","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513793","12.6439","0.0002","21.0196","0.0004","21.9093","0.0004","90","","96.0021","0.0007","90","","5790.91","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl3 O5 Os P3 -","- C66 H58 Cl3 O5 Os P3 -","- C264 H232 Cl12 O20 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0401","0.0338","","","0.0855","0.0881","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513794","11.6307","0.0005","12.5277","0.0005","33.4761","0.0014","90","","90","","90","","4877.7","0.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0495","0.0426","","","0.119","0.1254","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513795","11.6585","0.0007","12.5084","0.0007","33.328","0.002","90","","90","","90","","4860.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H31 F5 Si3 -","- C21 H31 F5 Si3 -","- C168 H248 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0373","0.0334","","","0.091","0.0937","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513796","19.1914","0.001","10.6017","0.0005","23.3513","0.0012","90","","90","","90","","4751.1","0.4","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","2","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.033","0.0282","","","0.0636","0.0664","","","","","","0.989","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513797","9.6564","0.0003","11.3871","0.0004","12.9349","0.0004","72.1","","81.25","","79.77","","1324.69","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 F5 Si3 -","- C25 H33 F5 Si3 -","- C50 H66 F10 Si6 -","2","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0331","0.0294","","","0.0777","0.0804","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513798","5.6548","0.0014","27.587","0.007","8.526","0.002","90","","95.291","0.005","90","","1324.4","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O7 -","- C11 H15 N5 O7 -","- C44 H60 N20 O28 -","4","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0387","0.0344","","","0.0895","0.0921","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513799","4.9116","0.0006","8.8528","0.0014","13.96","0.0017","105.332","0.006","93.529","0.004","91.847","0.003","583.54","0.14","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C22 H26 N10 O10 -","2","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0732","0.0515","","","0.1172","0.1289","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513839","20.0613","0.0013","6.9855","0.0006","38.187","0.003","90","","102.741","0.002","90","","5219.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3-bis(2,6-diisopropylphenyl)-2-phosphinylidene-2,3-dihydro-1H-imidazole","1,3-bis(2,6-diisopropylphenyl)-2-phosphinylidene-2,3-dihydro-1H-imidazole","","- C27 H37 N2 P -","- C27 H37 N2 P -","- C216 H296 N16 P8 -","8","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0633","0.0461","","","0.141","0.1543","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513840","17.0305","0.0012","21.4738","0.0009","16.7809","0.0011","90","","115.996","0.003","90","","5516","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1,3-bis(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)triphosphin-2-ium]Chloride","","","- C58 H80 Cl N4 O P3 -","- C58 H80 Cl N4 O P3 -","- C232 H320 Cl4 N16 O4 P12 -","4","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0733","0.0441","","","0.1103","0.1329","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513841","22.3995","0.0003","12.1255","0.0002","29.5997","0.0005","90","","90.82","0.001","90","","8038.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran","di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran","","- C72 H116 Cl N4 O3 P7 Si2 -","- C72 H116 Cl N4 O3 P7 Si2 -","- C288 H464 Cl4 N16 O12 P28 Si8 -","4","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","x-ray","0.71073","MoKα","","0.0704","0.0456","","","0.1153","0.1249","","","","","","1.311","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513842","11.9151","0.0002","13.5428","0.0002","15.8914","0.0003","85.68","0.001","89.601","0.001","79.255","0.001","2512.11","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1,3-bis(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)triphosphinyl","","","- C54 H72 N4 P3 -","- C54 H72 N4 P3 -","- C108 H144 N8 P6 -","2","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0837","0.0465","","","0.1027","0.118","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513843","24.928","0.0012","14.103","0.0007","17.8654","0.0008","90","","92.468","0.002","90","","6274.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[bis((1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)phosphino)arsinium]Chloride","","","- C66 H96 As Cl N4 O3 P2 -","- C66 H96 As Cl N4 O3 P2 -","- C264 H384 As4 Cl4 N16 O12 P8 -","4","0.5","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.062","0.0414","","","0.094","0.1053","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513844","10.2682","0.0006","42.469","0.003","24.23","0.0012","90","","92.756","0.002","90","","10554","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","arsenyl[bis((1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)phosphine)]","","","- C54 H72 As N4 P2 -","- C54 H72 As N4 P2 -","- C432 H576 As8 N32 P16 -","8","2","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0852","0.0456","","","0.0842","0.1004","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513845","23.6782","0.0011","18.3268","0.0009","29.7342","0.0014","90","","103.981","0.001","90","","12520.8","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 N4 O4 P6 -","- C60 H78 N4 O4 P6 -","- C480 H624 N32 O32 P48 -","8","2","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","1.54178","CuKα","","0.064","0.0457","","","0.0971","0.1073","","","","","","0.95","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513846","20.729","0.001","16.7382","0.0008","13.9693","0.0007","90","","93.679","0.002","90","","4836.9","0.4","200","2","200","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","Gandelman-58 (Yuri)","","","- C39 H40 Cl4 F6 N3 O6 P2 Pt S2 -","- C39 H40 Cl4 F6 N3 O6 P2 Pt S2 -","- C156 H160 Cl16 F24 N12 O24 P8 Pt4 S8 -","4","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.0403","0.0293","","","0.0762","0.0798","","","","","","1.257","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513847","13.778","0.0003","14.772","0.0003","17.476","0.0004","84.622","0.001","82.6","0.001","83.819","0.001","3495.21","0.13","293","2","293","2","","","","","","","","9","P -1","-P 1","2","Gandelman-157 (Yuri)","","","- C60 H61 F12 K N3 O13 P3 Pt S4 -","- C60 H61 F12 K N3 O13 P3 Pt S4 -","- C120 H122 F24 K2 N6 O26 P6 Pt2 S8 -","2","1","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation–cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.0622","0.0461","","","0.1347","0.1886","","","","","","1.139","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513848","13.854","0.002","22.376","0.003","19.553","0.003","90","","109.609","0.004","90","","5709.8","1.4","240","2","240","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gandelman-155 (Saha)","","","- C48 H64 F12 N3 O3.5 P4 Rh -","- C48 H64 F12 N3 O3.5 P4 Rh -","- C192 H256 F48 N12 O14 P16 Rh4 -","4","1","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.1002","0.0729","","","0.22","0.2551","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513849","26.8737","0.0003","12.5922","0.0002","16.0468","0.0001","90","","120.726","0.001","90","","4667.93","0.11","120","2","120","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Cl5 F6 N3 O6 P2 Pt S2 -","- C38 H40 Cl5 F6 N3 O6 P2 Pt S2 -","- C152 H160 Cl20 F24 N12 O24 P8 Pt4 S8 -","4","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.033","0.0299","","","0.077","0.0788","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513850","15.7239","0.0007","17.5295","0.0008","23.5911","0.001","90","","106.188","0.002","90","","6244.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H126 F24 N6 O4 P10 Rh2 -","- C120 H126 F23.996 N6 O4 P10 Rh2 -","- C240 H252 F47.992 N12 O8 P20 Rh4 -","2","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.1031","0.0693","","","0.1739","0.1936","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513851","11.2305","0.0006","12.1307","0.0007","13.8812","0.0008","97.683","0.001","111.479","0.001","105.007","0.001","1643.89","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Ca2 F12 N12 O16 S4 -","- C56 H44 Ca2 F12 N12 O16 S4 -","- C56 H44 Ca2 F12 N12 O16 S4 -","1","0.5","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1359","0.11","","","0.2875","0.3117","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513852","13.9231","0.0009","13.4981","0.0009","15.7366","0.0007","90","","104.682","0.003","90","","2860.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Ca Cl2 N8 O -","- C26 H30 Ca Cl2 N8 O -","- C104 H120 Ca4 Cl8 N32 O4 -","4","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1228","0.0568","","","0.1499","0.191","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513853","8.8738","0.0009","10.2258","0.001","11.11","0.0011","92.066","0.002","98.016","0.002","100.127","0.002","980.84","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H10 Ca F6 N4 O6 S2 -","- C13 H10 Ca F6 N4 O6 S2 -","- C26 H20 Ca2 F12 N8 O12 S4 -","2","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.0742","0.0528","","","0.1336","0.1409","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513854","11.208","0.002","19.89","0.004","18.423","0.004","90","","96.346","0.004","90","","4081.8","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 Ca Cl2 N12 O8 -","- C33 H29 Ca Cl2 N12 O8 -","- C132 H116 Ca4 Cl8 N48 O32 -","4","0.5","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1083","0.079","","","0.2021","0.213","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513855","12.8935","0.0013","14.4392","0.0014","18.0468","0.0018","92.81","0.002","107.021","0.002","114.714","0.002","2861","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H57 Ca2 N15 O8 -","- C58 H57 Ca2 N15 O8 -","- C116 H114 Ca4 N30 O16 -","2","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.2651","0.1083","","","0.1285","0.1647","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513856","7.5169","0.0004","9.9819","0.0005","10.683","0.0005","113.158","0.001","90.038","0.001","98.162","0.001","728.12","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H20 Au Cl N4 O -","- C11 H20 Au Cl N4 O -","- C22 H40 Au2 Cl2 N8 O2 -","2","1","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0386","0.0377","","","0.0998","0.1007","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513857","15.634","0.002","6.3008","0.0007","8.0648","0.001","90","","108.223","0.007","90","","754.59","0.16","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Au2 N6 -","- C12 H16 Au2 N6 -","- C24 H32 Au4 N12 -","2","0.25","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0505","0.0484","","","0.1325","0.1359","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513858","9.3279","0.0004","17.2846","0.0007","6.7132","0.0003","90","","105.46","0.002","90","","1043.2","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ag Au N6 -","- C20 H20 Ag Au N6 -","- C40 H40 Ag2 Au2 N12 -","2","0.5","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.067","0.0591","","","0.1707","0.1883","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513859","4.1212","0.0003","10.9295","0.0009","14.0406","0.001","67.288","0.004","81.57","0.003","89.986","0.004","575.98","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Au0.5 Cl0.5 N2 O -","- C9 H10 Au0.5 Cl0.5 N2 O -","- C18 H20 Au Cl N4 O2 -","2","1","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0945","0.0896","","","0.2217","0.2324","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513860","8.802","0.0007","10.1477","0.0008","10.3699","0.0008","90","","114.98","0.002","90","","839.6","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O2 P -","- C18 H23 O2 P -","- C36 H46 O4 P2 -","2","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0461","0.0328","","","0.0737","0.0795","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513861","21.4308","0.0014","6.089","0.0004","13.0171","0.0008","90","","116.36","0.002","90","","1522.01","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H21 O2 P -","- C17 H21 O2 P -","- C68 H84 O8 P4 -","4","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0446","0.0353","","","0.0729","0.0764","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513862","25.1525","0.0018","11.425","0.0004","7.5575","0.0003","90","","94.475","0.007","90","","2165.16","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","2","","Duan, Pingping; Yang, Yunfang; Ben, Rong; Yan, Yiyong; Dai, Lu; Hong, Mei; Wu, Yun-Dong; Wang, Dongqi; Zhang, Xinhao; Zhao, Jing","Palladium-catalyzed benzo[d]isoxazole synthesis by C–H activation/[4 + 1] annulation","Chemical Science","2014","5","4","1574","","10.1039/c3sc53228c","","","1.54178","CuKα","","0.0701","0.0491","","","0.13","0.1466","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513863","23.9647","0.0014","23.9647","0.0014","23.9647","0.0014","90","","90","","90","","13763.1","1.4","296","2","296","2","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C33 H24.67 O13 Zn2.67 -","- C33 H24.67 O12.33 Zn2.44333 -","- C396 H296.04 O147.96 Zn29.32 -","12","1","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71073","MoKα","","0.1705","0.0966","","","0.2585","0.2899","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513864","26.669","0.003","26.669","0.003","86.622","0.004","90","","90","","120","","53355","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H36 N0 O19 Zn4 -","- C49.5 H36 O19 Zn4 -","- C594 H432 O228 Zn48 -","12","0.333333","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71069","MoKα","","0.1675","0.0403","","","0.078","0.0941","","","","","","0.7","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513865","13.0611","0.0005","16.5349","0.0007","22.6345","0.0009","90","","90","","90","","4888.2","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 Cr N3 P3 -","- C45 H51 Cr N3 P3 -","- C180 H204 Cr4 N12 P12 -","4","1","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0513","0.0385","","0.0874","0.0841","0.0874","","","","","","0.9617","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513866","20.6666","0.0003","20.6666","0.0003","20.6666","0.0003","90","","90","","90","","8826.9","0.2","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Cr Fe I N3 P3 -","- C45 H51 Cr Fe I N3 P3 -","- C360 H408 Cr8 Fe8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0682","0.0368","","0.0798","0.0702","0.0798","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513867","20.6768","0.0002","20.6768","0.0002","20.6768","0.0002","90","","90","","90","","8839.95","0.15","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Co Cr I N3 P3 -","- C45 H51 Co Cr I N3 P3 -","- C360 H408 Co8 Cr8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0397","0.0295","","0.0749","0.0639","0.0749","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513868","16.2739","0.0003","16.2739","0.0003","23.1328","0.0005","90","","90","","120","","5305.69","0.18","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Cr Fe N3 P4 -","- C48 H60 Cr Fe N3 P4 -","- C192 H240 Cr4 Fe4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0514","0.0323","","0.0985","0.0852","0.0985","","","","","","0.9917","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513869","16.2999","0.0006","16.2999","0.0006","22.8438","0.0009","90","","90","","120","","5256.2","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Co Cr N3 P4 -","- C48 H60 Co Cr N3 P4 -","- C192 H240 Co4 Cr4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0431","0.0306","","0.0968","0.0819","0.0968","","","","","","1.0465","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513870","10.7036","0.0003","22.2854","0.0006","22.5333","0.0006","61.763","0.001","81.327","0.001","87.515","0.001","4678.8","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H57 Cr Cu I N3 O0.75 P3 -","- C48 H57 Cr Cu I N3 O0.75 P3 -","- C192 H228 Cr4 Cu4 I4 N12 O3 P12 -","4","2","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0729","0.0533","","0.1193","0.1142","0.1193","","","","","","1.0135","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513871","5.673","0.0011","8.3677","0.0017","31.795","0.006","90","","90","","90","","1509.3","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0925","0.0834","","","0.1875","0.1904","","","","","","1.131","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513872","6.6316","0.0013","9.2654","0.0019","26.038","0.005","90","","90","","90","","1599.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 O5 P -","- C17 H17 O5 P -","- C68 H68 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0458","0.0397","","","0.0908","0.0962","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513873","25.33","0.004","6.664","0.0008","16.09","0.002","90","","121.291","0.016","90","","2320.9","0.7","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H25 O5 P -","- C29 H25 O5 P -","- C116 H100 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0814","0.063","","","0.129","0.1415","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513874","11.779","0.0013","17.451","0.002","13.849","0.0016","90","","110.544","0.004","90","","2665.7","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H83 O7 P -","- C56 H83 O7 P -","- C112 H166 O14 P2 -","2","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0624","0.0524","","","0.0955","0.0999","","","","","","0.993","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513875","16.527","0.003","18.866","0.004","26.157","0.005","90","","90","","90","","8156","3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H66 Cl2 O19 P4 Rh2 -","- C70 H61 Cl2 O19 P4 Rh2 -","- C280 H244 Cl8 O76 P16 Rh8 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0514","0.0481","","","0.1192","0.1213","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513876","12.9479","0.0005","12.9479","0.0005","16.3112","0.0005","90","","90","","120","","2368.18","0.15","122","1","122","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C27 H27 Er N4 O3 -","- C27 H27 Er N4 O3 -","- C108 H108 Er4 N16 O12 -","4","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","MoKα","","0.0365","0.0203","","","","0.0472","","","","","","1.0199","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513877","13.0245","","13.0245","","11.15","0.08","90","","90","","120","","1638","12","122","1","122","1","","","","","","","","6","P -3","-P 3","147","","","","- C30 H30 Er I3 N4 O3 -","- C30 H30 Er I3 N4 O3 -","- C60 H60 Er2 I6 N8 O6 -","2","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","","","0.0959","0.0653","","","","0.1764","","","","","","1.1027","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513878","12.5689","0.0004","15.0967","0.0005","14.9942","0.0005","90","","109.98","0.001","90","","2673.89","0.15","122","1","122","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Erbium-5-chlorotrensal","","","- C27 H24 Cl3 Er N4 O3 -","- C27 H24 Cl3 Er N4 O3 -","- C108 H96 Cl12 Er4 N16 O12 -","4","1","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","","","0.0286","0.0204","","","0.0416","0.0459","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513879","9.489","0.005","10.75","0.005","13.644","0.005","90.055","0.005","94.092","0.005","111.778","0.005","1288.6","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N4 O2 -","- C30 H29 N4 O2 -","- C60 H58 N8 O4 -","2","1","","Jia, Wenbin; Yang, Peng; Li, Junjie; Yin, Zhengmao; Kong, Lin; Lu, Hongbo; Ge, Zhishen; Wu, Yongzhong; Hao, Xiaopeng; Yang, Jiaxiang","Synthesis and characterization of a novel cyanostilbene derivative and its initiated polymers: aggregation-induced emission enhancement behaviors and light-emitting diode applications","Polymer Chemistry","2014","5","7","2282","","10.1039/c3py01550e","","","0.71069","MoKα","","0.1458","0.091","","","0.2662","0.3206","","","","","","1.018","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1514137","15.98","0.003","14.393","0.002","24.368","0.004","90","","90","","90","","5604.6","1.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Fe N2 O -","- C27 H35 Cl3 Fe N2 O -","- C216 H280 Cl24 Fe8 N16 O8 -","8","1","","Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A.","Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates","Chemical Science","2014","5","4","1526","","10.1039/c3sc52533c","","","0.71073","MoKα","","0.0968","0.0594","","","0.1406","0.1665","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514138","6.6348","0.0009","11.6431","0.0015","10.7797","0.0014","90","","99.155","0.008","90","","822.12","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C36 H34 Cl2 O8 -","2","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0775","0.0407","","","0.0785","0.0906","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514139","6.569","0.008","13.286","0.017","17.05","0.02","90","","90","","90","","1488","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","x-ray","0.71073","MoKα","","0.0696","0.0453","","","0.1209","0.1392","","","","","","0.909","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514140","6.465","0.005","16.927","0.005","29.143","0.005","90","","90","","90","","3189","3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C144 H120 Cl8 O32 -","8","2","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0477","0.0387","","","0.0872","0.0913","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514274","14.997","0.003","8.3386","0.0015","17.151","0.003","90","","99.979","0.003","90","","2112.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Mo N2 O6 -","- C17 H40 Mo N2 O6 -","- C68 H160 Mo4 N8 O24 -","4","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0198","0.0181","","","0.047","0.0479","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514275","10.7577","0.0011","13.0244","0.0013","25.943","0.003","90","","90.884","0.002","90","","3634.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H72 Mo N6 O8 P4 -","- C82 H72 Mo N6 O8 P4 -","- C164 H144 Mo2 N12 O16 P8 -","2","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0373","0.0355","","","0.091","0.0918","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514276","21.931","0.008","12.235","0.005","26.654","0.01","90","","92.141","0.006","90","","7147","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cl6 Mo N2 O7 P4 -","- C77.213 H67.813 Cl6.458 Mo N2 O6.071 P4 -","- C308.852 H271.252 Cl25.832 Mo4 N8 O24.284 P16 -","4","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0716","0.0596","","","0.1653","0.1785","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514277","9.5528","0.0006","10.1091","0.0005","16.166","0.0009","90","","104.844","0.005","90","","1509.05","0.15","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","0.71073","MoKα","","0.0833","0.0515","","","0.0891","0.1023","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514278","10.7552","0.0007","10.1502","0.0007","14.9906","0.0008","90","","93.447","0.005","90","","1633.52","0.18","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","0.71073","MoKα","","0.0814","0.0471","","","0.1","0.1191","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514279","5.6981","0.0007","8.6185","0.0007","32.841","0.007","90","","90","","90","","1612.8","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","1.5418","CuKα","","0.0786","0.0626","","","0.1561","0.1667","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514280","13.4714","0.0004","5.8443","0.0002","19.1637","0.0006","90","","103.276","0.003","90","","1468.45","0.08","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","1.5418","CuKα","","0.0514","0.0406","","","0.1023","0.1103","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514281","13.2321","0.0001","15.7048","0.0001","16.7382","0.0002","90","","114.833","0.0005","90","","3156.7","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Cl2 N O4 P2 Re -","- C27 H44 Cl2 N O4 P2 Re -","- C108 H176 Cl8 N4 O16 P8 Re4 -","4","1","","Vogt, Matthias; Nerush, Alexander; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Reversible CO2 binding triggered by metal‒ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen","Chemical Science","2014","5","5","2043","","10.1039/c4sc00130c","","","0.71073","MoKα","","0.0529","0.0384","","","0.0939","0.0995","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514282","7.554","0.0001","17.939","0.0004","21.6527","0.0006","66.669","0.002","87.131","0.002","86.992","0.002","2689.18","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 N O3 Pt -","- C37 H27 N O3 Pt -","- C148 H108 N4 O12 Pt4 -","4","2","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0819","0.0524","","","0.1165","0.1222","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514283","8.5103","0.0008","30.003","0.002","9.119","0.0008","90","","112.41","0.01","90","","2152.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H21 N O -","- C32 H21 N O -","- C128 H84 N4 O4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.1255","0.0423","","","0.0599","0.0715","","","","","","0.714","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514284","13.2528","0.0002","14.7365","0.0002","18.3823","0.0003","90","","90","","90","","3590.06","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H31 Cl4 N O2 Pt S -","- C41 H31 Cl4 N O2 Pt S -","- C164 H124 Cl16 N4 O8 Pt4 S4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.031","0.027","","","0.0719","0.0729","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514285","7.7976","0.0002","13.3596","0.0004","15.247","0.0004","90","","93.639","0.002","90","","1585.12","0.08","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H30 Cl N O2 Pt S -","- C40 H30 Cl N O2 Pt S -","- C80 H60 Cl2 N2 O4 Pt2 S2 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0641","0.0418","","","0.079","0.0826","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514286","7.5661","0.0002","12.3042","0.0003","7.9592","0.0003","90","","105.511","0.003","90","","713.97","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0398","0.0319","","","0.0677","0.0695","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514287","17.2805","0.0002","17.2812","0.0002","12.5128","0.0002","90","","90","","90","","3736.67","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C148 H132 Cl20 N8 O8 Pt8 S8 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0509","0.0312","","","0.0397","0.0415","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514288","11.8533","0.0002","9.9205","0.0001","22.5187","0.0004","90","","103.333","0.002","90","","2576.62","0.07","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N2 O4 Pt2 -","- C30 H26 N2 O4 Pt2 -","- C120 H104 N8 O16 Pt8 -","4","0.5","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71069","MoKα","","0.0307","0.0232","","","0.0586","0.0603","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514289","12.949","0.002","17.658","0.003","32.897","0.005","90","","90.081","0.005","90","","7522","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(4,8,14,18,23,27-hexa-azonia-1,11-diaza-6(9,10)-anthracena-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane perrhenate clathrate) penta(triflate) heptahydrate","","","- C49 H78 F15 N8 O26 Re S5 -","- C49 H64 F15 N8 O26 Re S5 -","- C196 H256 F60 N32 O104 Re4 S20 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik","Fluorescent sensing of 99Tc pertechnetate in water","Chemical Science","2014","5","5","1820","","10.1039/c3sc53504e","","","0.71073","MoKα","","0.093","0.0595","","","0.1547","0.1786","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514290","13.0099","0.0002","17.557","0.0004","32.9333","0.0004","90","","89.226","0.001","90","","7521.8","0.2","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(4,8,14,18,23,27-hexa-azonia-1,11-diaza-6(9,10)-anthracena-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane pertechnetate clathrate) penta(triflate) heptahydrate","","","- C49 H78 F15 N8 O26 S5 Tc -","- C49 H78 F15 N8 O26 S5 Tc -","- C196 H312 F60 N32 O104 S20 Tc4 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik","Fluorescent sensing of 99Tc pertechnetate in water","Chemical Science","2014","5","5","1820","","10.1039/c3sc53504e","","","1.54184","CuKα","","0.124","0.1125","","","0.3608","0.38","","","","","","1.717","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514291","4.865","0.001","7.057","0.0014","15.151","0.003","88.73","0.03","84.04","0.03","82.71","0.03","513.15","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 F2 O2 -","- C11 H10 F2 O2 -","- C22 H20 F4 O4 -","2","1","","Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen","Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes","Chemical Science","2014","5","5","1934","","10.1039/c4sc00221k","","","0.7107","MoKα","","0.159","0.0716","","","0.1644","0.2356","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514292","11.1925","0.0012","8.1206","0.0009","21.465","0.002","90","","101.402","0.003","90","","1912.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C80 H76 Cl4 N8 O16 -","4","2","","Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang","Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation","Chemical Science","2014","5","5","1988","","10.1039/c3sc53314j","","","0.71073","MoKα","","0.044","0.0381","","","0.1157","0.1229","","","","","","1.085","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514293","11.5495","0.0011","21.268","0.002","28.17","0.003","90","","90","","90","","6919.5","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H62 Al Co N2 O8 -","- C66 H62 Al Co N2 O8 -","- C264 H248 Al4 Co4 N8 O32 -","4","1","","Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W.","Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides","Chemical Science","2014","5","5","1928","","10.1039/c4sc00075g","","","0.71073","MoKα","","0.0864","0.0576","","","0.137","0.1481","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514294","5.7359","0.0002","17.005","0.0004","9.7453","0.0007","90","","102.621","0.007","90","","927.58","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H22 F3 N O2 S -","- C19 H22 F3 N O2 S -","- C38 H44 F6 N2 O4 S2 -","2","1","","Buesking, Andrew W.; Ellman, Jonathan A.","Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls","Chemical Science","2014","5","5","1983","","10.1039/c4sc00084f","","","1.54178","CuKα","","0.0399","0.0377","","","0.0917","0.0926","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514295","14.0939","0.0012","19.1285","0.0016","26.663","0.002","90","","90","","90","","7188.2","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 F3 N3 O3 Pt S -","- C37 H30 F3 N3 O3 Pt S -","- C296 H240 F24 N24 O24 Pt8 S8 -","8","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0347","0.0269","","","0.0588","0.0609","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514296","10.3618","0.0009","12.3271","0.0011","14.6981","0.0012","81.352","0.002","88.049","0.002","80.752","0.002","1831.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H20 Cl2 F9 N3 O3 Pt S -","- C35 H20 Cl2 F9 N3 O3 Pt S -","- C70 H40 Cl4 F18 N6 O6 Pt2 S2 -","2","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0376","0.0355","","","0.0885","0.0899","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514297","9.7989","0.0016","9.7523","0.0016","22.829","0.004","90","","90.326","0.002","90","","2181.5","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C100 H84 Br4 N8 O12 -","4","2","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel–Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0894","0.0639","","","0.1289","0.1384","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514298","14.395","0.003","10.661","0.002","15.136","0.003","90","","95.588","0.003","90","","2311.8","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N O4 -","- C11 H8 F3 N O4 -","- C88 H64 F24 N8 O32 -","8","2","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel–Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.095","0.0582","","","0.1376","0.1588","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514299","21.2628","0.0015","21.2628","0.0015","9.0321","0.0009","90","","90","","90","","4083.5","0.6","123","","123","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H22 N2 O2 -","- C25 H21 N2 O2 -","- C200 H168 N16 O16 -","8","1","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0626","0.0441","","","0.0888","0.095","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514300","10.3326","0.0005","6.3617","0.0003","14.1521","0.0007","90","","96.731","0.002","90","","923.85","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker","Organocatalytic [4+2] addition reactions via tetraenamine intermediate","Chemical Science","2014","5","5","2052","","10.1039/c4sc00081a","","","0.56086","AgKα","","0.0384","0.0344","","","0.0754","0.0774","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514301","4.188","0.005","21.206","0.005","30.008","0.005","90","0.005","91.247","0.005","90","0.005","2664","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N10 O2.88 -","- C30 H22 N10 O2.89 -","- C120 H88 N40 O11.56 -","4","1","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","1.5418","CuKα","","0.1065","0.0828","","","0.2076","0.2368","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514302","11.4645","0.0005","16.4498","0.0005","16.6038","0.0006","105.696","0.002","102.138","0.002","95.838","0.002","2904.99","0.19","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl3 Fe N6 -","- C33 H23 Cl3 Fe N6 -","- C132 H92 Cl12 Fe4 N24 -","4","2","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.0692","0.042","","","0.0926","0.1077","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514303","40","0.02","7.73","0.003","19.823","0.01","90","","97.713","0.014","90","","6074","5","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H37 Cl2 N15 O6 Re2 -","- C62 H37 Cl2 N15 O6 Re2 -","- C248 H148 Cl8 N60 O24 Re8 -","4","0.5","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.0992","0.0619","","","0.1535","0.1846","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514304","11.1876","0.0013","12.2069","0.0018","12.521","0.002","112.398","0.003","100.82","0.005","90.607","0.007","1546.5","0.4","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag F6 N6 Sb -","- C28 H18 Ag F6 N6 Sb -","- C56 H36 Ag2 F12 N12 Sb2 -","2","1","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.034","0.0292","","","0.087","0.09","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514305","14.809","0.003","21.668","0.004","24.158","0.005","105.56","0.03","94.22","0.03","90.62","0.03","7444","3","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5 -","- C64 H52.25 Cl Fe2 N13 O2.625 Pd Pt0.5 -","- C256 H209 Cl4 Fe8 N52 O10.5 Pd4 Pt2 -","4","2","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.7108","Synchrotron","","0.1333","0.0934","","","0.2786","0.305","","","","","","1","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514306","5.3717","0.0003","18.0674","0.0008","29.3071","0.001","90","","90","","90","","2844.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C120 H120 Br8 O32 -","8","2","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","1.54178","CuKα","","0.0868","0.056","","","0.136","0.1556","","","","","","0.929","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514307","5.4193","0.0003","9.4004","0.0005","28.084","0.0014","90","","90","","90","","1430.7","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","0.71073","MoKα","","0.0509","0.0337","","","0.083","0.0962","","","","","","0.584","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514308","29.522","0.004","11.3531","0.0014","16.459","0.002","90","","102.536","0.001","90","","5385","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H87 Cl2 Co2 N2 P4 -","- C50.516 H87 Cl2 Co2 N2 P4 -","- C202.064 H348 Cl8 Co8 N8 P16 -","4","0.5","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0656","0.0554","","","0.1412","0.1492","","","","","","1.155","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514309","15.6128","0.0005","9.7824","0.0003","16.1191","0.0005","90","","106.659","0.002","90","","2358.55","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Co I N P2 -","- C20 H38 Co I N P2 -","- C80 H152 Co4 I4 N4 P8 -","4","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","1.54178","CuKα","","0.0372","0.034","","","0.0986","0.1026","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514310","10.4893","0.0002","11.4272","0.0002","16.7767","0.0003","75.494","0.001","74.128","0.001","64.032","0.001","1718.98","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 Co N P2 -","- C37 H49 Co N P2 -","- C74 H98 Co2 N2 P4 -","2","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","1.54178","CuKα","","0.0288","0.0273","","","0.0696","0.0706","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514311","13.885","0.005","11.36","0.005","16.179","0.005","90","","94.627","0.005","90","","2543.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Co N P3 -","- C22 H45 Co N P3 -","- C88 H180 Co4 N4 P12 -","4","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0311","0.0246","","","0.063","0.0699","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514312","10.0117","0.0013","10.3818","0.0013","15.817","0.002","95.298","0.002","96.632","0.003","116.746","0.002","1438.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H51 Co N P3 -","- C25 H51 Co N P3 -","- C50 H102 Co2 N2 P6 -","2","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0331","0.0272","","","0.0677","0.0712","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514313","19.236","0.005","9.591","0.005","11.786","0.005","90","","100.635","0.005","90","","2137.1","1.5","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 Co N P2 -","- C19 H38 Co N P2 -","- C76 H152 Co4 N4 P8 -","4","0.5","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0339","0.0272","","","0.0794","0.0834","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514314","9.8268","0.0008","14.9773","0.0012","13.5372","0.0011","90","","111.255","0.001","90","","1856.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","","","- C24 H17 O2 Sb -","- C24 H17 O2 Sb -","- C96 H68 O8 Sb4 -","4","1","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.0223","0.02","","","0.0482","0.049","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514315","10.0011","0.0008","21.4018","0.0018","16.9437","0.0011","90","","122.404","0.003","90","","3062","0.4","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","none","","","- C30 H31 Cl4 F N3 O2 S Sb -","- C30 H31 Cl4 F N3 O2 S Sb -","- C120 H124 Cl16 F4 N12 O8 S4 Sb4 -","4","1","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.08","0.0693","","","0.189","0.1988","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514316","14.7131","0.0016","16.7493","0.0018","27.433","0.003","90","","90","","90","","6760.4","1.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","none","","","- C38 H37 F N3 O4 S Sb -","- C38 H37 F N3 O4 S Sb -","- C304 H296 F8 N24 O32 S8 Sb8 -","8","2","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.049","0.0391","","","0.0908","0.0957","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514317","14.942","0.003","17.41","0.003","20.949","0.004","68.999","0.004","69.324","0.004","75.701","0.004","4714.5","1.5","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","ubsc16","","","- C32 H42 N2 O6 S2 -","- C32 H42 N2 O6 S2 -","- C192 H252 N12 O36 S12 -","6","3","","Turnpenny, Benjamin W.; Chemler, Sherry R.","Copper-Catalyzed Alkene Diamination: Synthesis of Chiral 2-Aminomethyl Indolines and Pyrrolidines.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1786","1793","10.1039/C4SC00237G","","","0.71073","MoKα","","0.11","0.0591","","","0.1311","0.1548","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514318","17.9132","0.0006","11.6738","0.0004","21.3034","0.0008","90","","90","","90","","4454.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mo N2 O4 -","- C22 H24 Mo N2 O4 -","- C176 H192 Mo8 N16 O32 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.0315","0.024","","","0.0601","0.0647","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514319","29.9821","0.0016","15.8708","0.0009","11.837","0.0006","90","","90","","90","","5632.5","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49 H80 K2 N2 O16 W -","- C49 H80 K2 N2 O16 W0.9882 -","- C196 H320 K8 N8 O64 W3.9528 -","4","0.5","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","","1.54178","CuKα","","0.0968","0.077","","","0.1851","0.198","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514320","17.8251","0.0009","11.6986","0.0006","21.3193","0.0011","90","","90","","90","","4445.7","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 W -","- C22 H24 N2 O4 W -","- C176 H192 N16 O32 W8 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.02","0.0159","","","0.0364","0.0387","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514321","12.213","0.0003","18.7469","0.0005","15.488","0.0004","90","","107.674","0.001","90","","3378.69","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 K N2 O11 W -","- C30 H40 K N2 O11 W -","- C120 H160 K4 N8 O44 W4 -","4","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","","0.71073","","","0.0317","0.0226","","","","0.0898","","","","","","0.7312","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514341","6.53547","0.00018","9.4651","0.0004","26.193","0.001","83.956","0.003","84.79","0.003","89.716","0.003","1604.59","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H50 N2 O8 S2 -","- C27 H50 N2 O8 S2 -","- C54 H100 N4 O16 S4 -","2","1","","Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay","Pattern-based sensing of aminoglycosides with fluorescent amphiphiles","Chemical Science","2014","5","6","2456","","10.1039/c4sc00737a","","","1.54178","CuKα","","0.0375","0.0335","","","0.0935","0.098","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514359","16.6402","0.0003","27.6773","0.0007","39.7657","0.0006","90","","90.466","0.002","90","","18313.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C217 H85 Cl23 Dy2 N24 O -","- C216 H84 Cl20 Dy2 N24 O -","- C864 H336 Cl80 Dy8 N96 O4 -","4","1","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.5418","CuKα","","0.1192","0.0977","","","0.2745","0.2955","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514360","22.5698","0.0004","15.6246","0.0002","24.1908","0.0004","90","","96.681","0.002","90","","8472.8","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C136 H40 Cl4 Dy N12 O0 -","- C136 H40 Cl4 Dy N12 -","- C544 H160 Cl16 Dy4 N48 -","4","0.5","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.5418","CuKα","","0.0558","0.0524","","","0.1268","0.1312","","","","","","0.604","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514361","19.3998","0.0002","28.3596","0.0003","24.7203","0.0002","90","","90","","90","","13600.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C220 H60 Cl8 Dy N12 O0 -","- C220 H60 Cl8 Dy N12 -","- C880 H240 Cl32 Dy4 N48 -","4","1","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.54184","CuKα","","0.1245","0.1191","","","0.2587","0.261","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514373","10.2059","0.0015","12.2904","0.0018","16.59","0.002","88.423","0.002","79.612","0.002","67.58","0.002","1890.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H42 Cl F6 N3 O4 P2 Ru -","- C39 H42 Cl F6 N3 O4 P2 Ru -","- C78 H84 Cl2 F12 N6 O8 P4 Ru2 -","2","1","","Sharma, Hemant; Guadalupe, Hernández J.; Narayanan, Jayanthi; Hofeld, Herbert; Pandiyan, Thangarasu; Singh, Narinder","Pyridyl- and benzimidazole-based ruthenium(iii) complex for selective chloride recognition through fluorescence spectroscopy","Analytical Methods","2013","5","16","3880","","10.1039/c3ay40434j","","","0.71073","MoKα","","0.0523","0.0502","","","0.1298","0.133","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514376","15.3435","0.0004","17.6683","0.0005","21.002","0.0005","65.712","0.003","71.109","0.003","68.54","0.003","4728","0.3","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 F18 N O2 W -","- C25 H27 F18 N O2 W -","- C150 H162 F108 N6 O12 W6 -","6","3","","Mougel, V.; Copéret, C.","Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts","Chemical Science","2014","5","6","2475","","10.1039/c4sc00230j","","","0.7107","MoKα","","0.0972","0.0521","","","0.1216","0.1715","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514377","43.4252","0.0018","8.333","0.0004","36.214","0.002","90","","113.942","0.0018","90","","11977","1","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H134 Cl13 N8 O6 P -","- C109.992 H133.984 Cl12.992 N8 O6 P -","- C439.968 H535.936 Cl51.968 N32 O24 P4 -","4","0.5","","Furuyama, Taniyuki; Yoshida, Takuya; Hashizume, Daisuke; Kobayashi, Nagao","Phosphorus(v) tetraazaporphyrins: porphyrinoids showing an exceptionally strong CT band between the Soret and Q bands","Chemical Science","2014","5","6","2466","","10.1039/c4sc00569d","","","0.71073","MoKα","","0.1167","0.0689","","","0.1951","0.2169","","","","","","0.943","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514856","7.5573","0.0008","14.3118","0.0015","22.254","0.002","90","","94.258","0.002","90","","2400.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(3-allyl-1-butylimdazolium)palladium(II)","","- C20 H32 Cl2 N4 Pd -","- C20 H32 Cl2 N4 Pd -","- C80 H128 Cl8 N16 Pd4 -","4","1","","Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul","Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.","Metallomics : integrated biometal science","2013","5","6","760","769","10.1039/c3mt00051f","","","0.71073","MoKα","","0.1016","0.0606","","","0.1744","0.1999","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514857","7.5862","0.0006","7.6268","0.0005","8.196","0.0005","78.976","0.001","73.148","0.002","69.472","0.001","422.9","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(3-allyl-1-methylimidazolium)palladium(II)","","- C14 H20 Br0 Cl2 N4 Pd -","- C14 H20 Cl2 N4 Pd -","- C14 H20 Cl2 N4 Pd -","1","0.5","","Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul","Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.","Metallomics : integrated biometal science","2013","5","6","760","769","10.1039/c3mt00051f","","","0.71073","MoKα","","0.052","0.0478","","","0.1408","0.1519","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514858","11.629","0.003","8.662","0.002","16.71","0.003","90","","122.315","0.013","90","","1422.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(3-benzyl-1-butylimdazolium)palladium(II)","","- C28 H36 Cl2 N4 Pd -","- C28 H36 Cl2 N4 Pd -","- C56 H72 Cl4 N8 Pd2 -","2","0.5","","Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul","Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.","Metallomics : integrated biometal science","2013","5","6","760","769","10.1039/c3mt00051f","","","0.71073","MoKα","","0.0599","0.0481","","","0.1542","0.1681","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514859","6.76","0.01","12.76","0.03","18.06","0.03","90","","92.31","0.04","90","","1557","5","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H16 N10 O7 Pt2 -","- C2 H16 N10 O7 Pt2 -","- C8 H64 N40 O28 Pt8 -","4","1","","Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko","Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles.","Metallomics : integrated biometal science","2013","5","5","461","468","10.1039/c3mt00040k","","","0.7107","MoKα","","0.0466","0.0418","","","0.1215","0.1247","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514860","12.8493","0.0004","6.2192","0.0002","20.5103","0.0006","90","","90","","90","","1639.03","0.09","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 Au Cl N2 -","- C19 H16 Au Cl N2 -","- C76 H64 Au4 Cl4 N8 -","4","1","","Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia","Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.","Metallomics : integrated biometal science","2013","5","8","1006","1015","10.1039/c3mt20260g","","","0.7107","MoKα","","0.0612","0.0441","","","0.0997","0.115","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514861","11.70626","0.00017","10.58915","0.00016","28.8363","0.0004","90","","94.201","0.0014","90","","3564.92","0.09","149.9","","149.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Ag2 Cl4 N4 -","- C39 H34 Ag2 Cl4 N4 -","- C156 H136 Ag8 Cl16 N16 -","4","1","","Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia","Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.","Metallomics : integrated biometal science","2013","5","8","1006","1015","10.1039/c3mt20260g","","","0.7107","MoKα","","0.0531","0.0413","","","0.0939","0.0996","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514866","25.054","","15.018","","19.103","","90","","94.07","","90","","7169.59","","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C119.81 H53.81 Cl1.25 N4 Ni Sc2 -","- C120.674 H54.262 Cl1.881 N4 Ni Sc1.997 -","- C482.696 H217.048 Cl7.524 N16 Ni4 Sc7.988 -","4","0.5","","Feng, Yongqiang; Wang, Taishan; Wu, Jingyi; Feng, Lai; Xiang, Junfeng; Ma, Yihan; Zhang, Zhuxia; Jiang, Li; Shu, Chunying; Wang, Chunru","Structural and electronic studies of metal carbide clusterfullerene Sc2C2@Cs-C72.","Nanoscale","2013","5","15","6704","6707","10.1039/c3nr01739g","","","0.71073","MoKα","","0.119","0.1055","","","0.2766","0.2906","","","","","","1.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514867","13.1176","0.001","5.17328","0.00011","17.1353","0.0012","90","","112.756","0.008","90","","1072.31","0.13","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21.5 H16.5 F6 O6 -","- C21.5 H16.5 F6 O6 -","- C43 H33 F12 O12 -","2","1","","Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa","A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.","Nanoscale","2013","5","4","1298","1300","10.1039/c2nr30880k","","","1.54187","CuKα","","","0.0583","","","","0.1669","","","","","","1.135","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514868","13.308","0.006","5.176","0.003","15.272","0.007","90","","98.749","0.01","90","","1039.7","0.9","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 F6 O6 -","- C18 H14 F6 O6 -","- C36 H28 F12 O12 -","2","1","","Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa","A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.","Nanoscale","2013","5","4","1298","1300","10.1039/c2nr30880k","","","0.71075","MoKα","","","0.1057","","","","0.3487","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514869","25.3878","0.0003","25.3878","0.0003","72.3758","0.0011","90","","90","","90","","46649.1","1.1","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C190 H130 Ag16 Cl4 F27.89 O0.13 P8 S14 -","- C190 H130 Ag16 Cl4 F27.918 O6 P8 S14 -","- C1520 H1040 Ag128 Cl32 F223.344 O48 P64 S112 -","8","0.5","","Yang, Huayan; Wang, Yu; Zheng, Nanfeng","Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures.","Nanoscale","2013","5","7","2674","2677","10.1039/c3nr34328f","","","1.54184","CuKα","","0.0978","0.0694","","","0.1999","0.231","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514870","49.221","0.01","22.63","0.005","40.889","0.008","90","","120.01","0.03","90","","39439","18","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C322 H234 Ag32 Cl0 F72 O1.5 P11 S24 -","- C322 H234 Ag32 F72 O1.5 P11 S24 -","- C1288 H936 Ag128 F288 O6 P44 S96 -","4","0.5","","Yang, Huayan; Wang, Yu; Zheng, Nanfeng","Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures.","Nanoscale","2013","5","7","2674","2677","10.1039/c3nr34328f","","","0.71073","MoKα","","0.0929","0.0646","","","0.1789","0.1935","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514871","25.082","0.006","14.877","0.003","19.229","0.004","90","","93.881","0.003","90","","7159","3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C114.75 H48.75 Cl0.75 N4 Ni Sm -","- C114.86 H48.86 Cl0.684 N4 Ni Sm0.996 -","- C459.44 H195.44 Cl2.736 N16 Ni4 Sm3.984 -","4","1","","Xu, Wei; Hao, Yajuan; Uhlik, Filip; Shi, Zujin; Slanina, Zdenêk; Feng, Lai","Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species.","Nanoscale","2013","5","21","10409","10413","10.1039/c3nr03447j","","","0.71073","MoKα","","0.1326","0.1258","","","0.3312","0.3365","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514872","9.9546","0.0007","9.6031","0.0007","12.4807","0.0009","90","","105.463","0.001","90","","1149.91","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 Se -","- C16 H8 N2 Se -","- C64 H32 N8 Se4 -","4","1","","Xiao, Jinchong; Xiao, Xuyu; Zhao, Yanlei; Wu, Bo; Liu, Zhenying; Zhang, Xuemin; Wang, Sujuan; Zhao, Xiaohui; Liu, Lei; Jiang, Li","Synthesis, physical properties and self-assembly behavior of azole-fused pyrene derivatives.","Nanoscale","2013","5","12","5420","5425","10.1039/c3nr00523b","","","0.71073","MoKα","","0.0303","0.0241","","","0.0609","0.0633","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514873","15.304","0.0015","15.304","0.0015","6.6658","0.0013","90","","90","","120","","1352.1","0.3","296","2","296","2","","","","","","","","5","P 3","P 3","143","","","","- C9 H26 N2 O12 Ti -","- C9 H26 N2 O12 Ti -","- C27 H78 N6 O36 Ti3 -","3","1","","Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G.","Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide.","Nanoscale","2013","5","8","3330","3336","10.1039/c3nr34068f","","","0.71073","MoKα","","0.0237","0.0219","","","0.0509","0.0516","","","","","","0.968","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515283","12.1653","0.0016","6.7288","0.0008","10.3724","0.0011","90","","104.751","0.005","90","","821.08","0.17","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B H8 Li N2 -","- B H8 Li N2 -","- B8 H64 Li8 N16 -","8","2","","He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping","Borohydride hydrazinates: high hydrogen content materials for hydrogen storage","Energy & Environmental Science","2012","5","2","5686","","10.1039/c2ee03205h","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.10167","","1.74","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515284","12.0187","0.0006","6.49642","0.00032","7.6645","0.0005","90","","90","","90","","598.43","0.06","","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B H12 Li N4 -","- B H12 Li N4 -","- B4 H48 Li4 N16 -","4","1","","He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping","Borohydride hydrazinates: high hydrogen content materials for hydrogen storage","Energy & Environmental Science","2012","5","2","5686","","10.1039/c2ee03205h","powder diffraction","x-ray","1.238","synchrotron","","","","","","","","0.2003","","1.2","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515285","19.9269","0.001","15.0019","0.0008","21.745","0.0011","90","","102.643","0.0007","90","","6342.9","0.6","296.15","","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H91 B2 F8 N5 Ni O4 P4 -","- C62 H91 B2 F8 N5 Ni O4 P4 -","- C248 H364 B8 F32 N20 Ni4 O16 P16 -","4","0.5","","Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P.","Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes","Energy & Environmental Science","2012","5","4","6480","","10.1039/c2ee03341k","","","0.71073","MOKα","","0.0533","0.0419","","","0.1308","0.1437","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515286","16.076","0.004","23.952","0.005","17.49","0.004","90","","108.075","0.003","90","","6402","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 B Cl3 Mg2 O6 -","- C54 H80 B Cl3 Mg2 O6 -","- C216 H320 B4 Cl12 Mg8 O24 -","4","1","","Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi","Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries","Energy & Environmental Science","2012","5","10","9100","","10.1039/c2ee22509c","","","0.71073","MoKα","","0.1442","0.1031","","","0.2969","0.3265","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515287","12.9569","0.0003","13.0714","0.0003","13.4709","0.0003","77.757","0.001","85.936","0.001","72.074","0.001","2121.33","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Al Cl5 Mg2 O6 -","- C36 H58 Al Cl5 Mg2 O6 -","- C72 H116 Al2 Cl10 Mg4 O12 -","2","1","","Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari","Electrolyte roadblocks to a magnesium rechargeable battery","Energy & Environmental Science","2012","5","3","5941","","10.1039/c2ee03029b","","","0.71073","MoKα","","0.0478","0.0331","","","0.0735","0.0797","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515288","16.4151","0.0016","16.5787","0.0016","18.5617","0.0019","90","","109.364","0.001","90","","4765.6","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 B Cl3 Mg2 O6 -","- C48 H68 B Cl3 Mg2 O6 -","- C192 H272 B4 Cl12 Mg8 O24 -","4","1","","Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari","Electrolyte roadblocks to a magnesium rechargeable battery","Energy & Environmental Science","2012","5","3","5941","","10.1039/c2ee03029b","","","0.71073","MoKα","","0.0443","0.0345","","","0.086","0.0925","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515376","12.9659","0.0004","12.9659","0.0004","9.2692","0.0003","90","","90","","120","","1349.52","0.07","293","2","293","2","","","","","","","","3","P 31","P 31","144","","","","- F24 Na6 Sc6 -","- F24 Na6 Sc6 -","- F72 Na18 Sc18 -","3","1","","Ai, Yu; Tu, Datao; Zheng, Wei; Liu, Yongsheng; Kong, Jintao; Hu, Ping; Chen, Zhuo; Huang, Mingdong; Chen, Xueyuan","Lanthanide-doped NaScF4 nanoprobes: crystal structure, optical spectroscopy and biodetection.","Nanoscale","2013","5","14","6430","6438","10.1039/c3nr01529g","","","0.71073","MoKα","","0.0466","0.0437","","","0.1288","0.1332","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515377","12.181","0.0011","16.841","0.004","20.805","0.0014","90","","102.322","0.014","90","","4169.6","1.1","122","","122.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Biotin[6]uril","","- C70 H108 N12 O20 S6 -","- C70 H107.621 N12 O20 S6 -","- C140 H215.243 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.114","0.0758","","","0.201","0.2322","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515378","12.468","0.012","16.713","0.016","21.06","0.02","90","","103.28","0.05","90","","4271","7","151","2","151","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H114 I N12 Na O23 S6 -","- C70 H114 I N12 Na O23 S6 -","- C140 H228 I2 N24 Na2 O46 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.1125","0.0641","","","0.1375","0.159","","","","","","1.027","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515379","13.004","0.002","15.655","0.002","20.436","0.003","90","","90.515","0.003","90","","4160.1","1","90","2","90.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Cl N4 Si3 Th -","- C33 H75 Cl N4 Si3 Th -","- C132 H300 Cl4 N16 Si12 Th4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","0.71073","MoKα","","0.0405","0.0332","","","0.0863","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515380","9.347","0.002","22.333","0.006","18.92","0.005","90","","92.508","0.004","90","","3945.7","1.7","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 N4 Si3 U -","- C33 H74 N4 Si3 U -","- C132 H296 N16 Si12 U4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","0.71073","MoKα","","0.124","0.111","","","0.2144","0.2195","","","","","","1.372","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515381","9.44392","0.00019","22.3863","0.0004","18.8042","0.0005","90","","92.5386","0.0019","90","","3971.58","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 N4 Si3 Th -","- C33 H74 N4 Si3 Th -","- C132 H296 N16 Si12 Th4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","1.5418","CuKα","","0.0294","0.0279","","","0.0679","0.0686","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515382","18.7387","0.0006","24.4559","0.0007","24.9335","0.0008","60.713","0.003","89.936","0.003","69.909","0.003","9163","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H82 N4 Si3 Th -","- C40 H82 N4 Si3 Th -","- C320 H656 N32 Si24 Th8 -","8","4","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","x-ray","1.54184","CuKα","","0.0678","0.0548","","","0.1324","0.1401","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515400","12.5666","0.0001","19.7682","0.0002","20.4056","0.0002","90","","107.382","0.001","90","","4837.65","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 B Ca F15 N2 O -","- C51 H50 B Ca F15 N2 O -","- C204 H200 B4 Ca4 F60 N8 O4 -","4","1","","Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine","Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis","Chemical Science","2014","5","7","2826","","10.1039/c4sc00885e","","","0.71073","MoKα","","0.0615","0.0388","","","0.0873","0.0974","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515401","25.258","0.0008","12.873","0.0004","34.507","0.001","90","","99.746","0.001","90","","11057.9","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.8 H50.6 B F15 Mg N2 O4 -","- C56.8 H50.6 B F15 Mg N2 O4 -","- C454.4 H404.8 B8 F120 Mg8 N16 O32 -","8","1","","Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine","Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis","Chemical Science","2014","5","7","2826","","10.1039/c4sc00885e","","","0.71073","MoKα","","0.1395","0.0761","","","0.1862","0.2228","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515402","9.371","0.002","9.447","0.002","27.755","0.007","84.533","0.006","83.63","0.007","88.365","0.009","2430.4","1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N4 O8 S4 -","- C52 H58 N4 O8 S4 -","- C104 H116 N8 O16 S8 -","2","1","","Wu, Guanglu; Thomas, Joice; Smet, Mario; Wang, Zhiqiang; Zhang, Xi","Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic counteranions determine aggregated structures","Chemical Science","2014","5","8","3267","","10.1039/c4sc00860j","","","0.71073","MoKα","","0.1244","0.0952","","","0.1939","0.2138","","","","","","1.152","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515403","13.5061","0.0005","13.6726","0.0005","15.5153","0.0005","112.007","0.002","103.362","0.002","102.907","0.002","2427.06","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52.69 H51.38 Cl1.38 N8 O8 -","- C52.69 H50 Cl1.36 N8 O8 -","- C105.38 H100 Cl2.72 N16 O16 -","2","1","","Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.","Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","7","2899","2905","10.1039/C4SC00950A","","","1.54178","CuKα","","0.0751","0.0589","","","0.1677","0.1833","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515404","12.6483","0.0016","6.9763","0.0009","25.125","0.003","90","","101.115","0.002","90","","2175.4","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C96 H96 N16 O16 -","4","1","","Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.","Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","7","2899","2905","10.1039/C4SC00950A","","","0.71073","MoKα","","0.0635","0.0487","","","0.1339","0.1503","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515405","9.613","0.0019","10.826","0.002","12.485","0.003","87.67","0.03","67.81","0.03","73.16","0.03","1148","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PropBisThyPropOate","Propyl-linked bis-thymine propanoate","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","1","","Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei","Topochemical polymerization using bis-thyminyl monomers","Polymer Chemistry","2014","5","14","4375","","10.1039/c4py00265b","","","0.7107","synchrotron","","0.0883","0.0768","","","0.2072","0.2159","","","","","","1.091","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515406","9.06","0.0018","16.13","0.003","9.92","0.002","90","","104.89","0.03","90","","1401","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeOArylBisThyPropOate","Methoxy Aryl Linked bis Thymine Propanoate","","- C28 H34 N4 O10 -","- C28 H34 N4 O10 -","- C56 H68 N8 O20 -","2","0.5","","Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei","Topochemical polymerization using bis-thyminyl monomers","Polymer Chemistry","2014","5","14","4375","","10.1039/c4py00265b","","","0.71253","synchrotron","","0.0877","0.0821","","","0.2263","0.2314","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515407","11.598","0.002","13.027","0.003","13.432","0.003","75.17","0.03","72.07","0.03","69.32","0.03","1781.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DiEtOArylBisThyPropOate","DiEtOArylBisThyPropOate","","- C30 H38 N4 O10 -","- C30 H38 N4 O10 -","- C60 H76 N8 O20 -","2","1","","Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei","Topochemical polymerization using bis-thyminyl monomers","Polymer Chemistry","2014","5","14","4375","","10.1039/c4py00265b","","","0.7107","synchrotron","","0.1312","0.0956","","","0.2796","0.3108","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515882","12.1651","0.0004","11.0065","0.0003","11.8112","0.0003","90","","99.351","0.001","90","","1560.45","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TripSNH3","","","- C15 H26 Sn -","- C15 H26 Sn -","- C60 H104 Sn4 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0147","0.0132","","","0.035","0.036","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515883","13.7423","0.0003","19.1733","0.0005","18.7204","0.0005","90","","105.761","0.001","90","","4747.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H74 N2 Sn -","- C52 H74 N2 Sn -","- C208 H296 N8 Sn4 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0312","0.0256","","","0.0578","0.0605","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515884","15.8297","0.0006","14.7507","0.0006","43.5163","0.0017","90","","97.259","0.002","90","","10079.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 Sn6 -","- C104 H154 Sn6 -","- C416 H616 Sn24 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0594","0.0388","","","0.0728","0.0801","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515885","12.6984","0.0007","7.5774","0.0004","15.0315","0.0009","90","","102.303","0.006","90","","1413.13","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0593","0.0526","","","0.1483","0.1553","","","","","","0.909","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515886","6.9028","0.0018","11.787","0.002","25.657","0.012","89.74","0.02","87.38","0.03","85.551","0.018","2079.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Br N O2 S -","- C22 H20 Br N O2 S -","- C88 H80 Br4 N4 O8 S4 -","4","2","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.2131","0.1624","","","0.3726","0.4133","","","","","","1.265","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515887","12.8758","0.0003","17.5058","0.0004","18.2986","0.0004","90","","90","","90","","4124.53","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0608","0.0507","","","0.1066","0.1113","","","","","","1.125","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515906","9.8","0.0002","12.6442","0.0002","23.2653","0.0003","100.197","0.001","100.351","0.001","100.798","0.001","2718.72","0.08","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm1929","","","- C60 H52 Mo2 N6 O10 -","- C60 H52 Mo2 N6 O10 -","- C120 H104 Mo4 N12 O20 -","2","1","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Spilker, Thomas F.; Young, Philip J.","Molybdenum–molybdenum quadruple bonds supported by 9,10-anthraquinone carboxylate ligands. Molecular, electronic, ground state and unusual photoexcited state properties","Chemical Science","2014","5","7","2657","","10.1039/c4sc00341a","","x-ray","0.71073","MoKα","","0.0843","0.0449","","","0.1006","0.1108","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515907","13.6878","0.0003","11.4342","0.0003","27.5312","0.0006","90","","109.089","0.001","90","","4071.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 Al N3 O2 -","- C47 H55 Al N3 O2 -","- C188 H220 Al4 N12 O8 -","4","1","","Myers, T. W.; Berben, L. A.","Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2","Chemical Science","2014","5","7","2771","","10.1039/c4sc01035c","","","1.54178","CuKα","","0.0936","0.0666","","","0.176","0.1894","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515908","9.891","0.005","9.891","0.005","33.183","0.005","90","","90","","120","","2811","2","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 Co N4 O4 -","- C12 H30 Cl2 Co N4 O4 -","- C72 H180 Cl12 Co6 N24 O24 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71069","MoKα","","0.032","0.0287","","","0.0775","0.0801","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515909","12.0262","0.0004","12.0262","0.0004","12.0262","0.0004","90","","90","","90","","1739.34","0.1","100","1","100","1","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Co N4 -","- C12 H30 Br2 Co N4 -","- C48 H120 Br8 Co4 N16 -","4","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0282","0.0212","","","0.0288","0.0295","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515910","9.9025","0.0003","9.9025","0.0003","33.1835","0.0012","90","","90","","120","","2818.01","0.16","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 O4 Zn -","- C12 H30 Cl2 N4 O4 Zn -","- C72 H180 Cl12 N24 O24 Zn6 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0373","0.0283","","","0.0597","0.0639","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515943","5.5633","0.0005","9.9288","0.0011","19.482","0.002","96.408","0.004","94.57","0.006","95.403","0.006","1060.22","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 Br2 N2 O2 -","- C50 H62 Br2 N2 O2 -","- C50 H62 Br2 N2 O2 -","1","0.5","","Zhang, Haichang; Neudörfl, Jörg-Martin; Tieke, Bernd","1,6-Naphthodione-based monomers and polymers","Polymer Chemistry","2014","5","12","3754","","10.1039/c4py00388h","","","0.71073","MoKα","","0.1243","0.0725","","","0.163","0.1856","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515960","12.782","0.003","13.109","0.005","20.557","0.005","82.757","0.012","74.773","0.009","88.94","0.013","3296.7","1.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- Eu H70 Na9 O71 W10 -","- Eu Na9 O71 W10 -","- Eu2 Na18 O142 W20 -","2","1","","Yan, Yi; Li, Bao; Li, Wen; Li, Haolong; Wu, Lixin","Controllable vesicular structure and reversal of a surfactant-encapsulated polyoxometalate complex","Soft Matter","2009","5","20","4047","","10.1039/b912011d","","","0.71073","MoKα","","0.0466","0.0414","","","0.0857","0.0882","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515996","24.242","0.009","24.242","0.009","24.242","0.009","90","","90","","90","","14246","9","350","","350","","","","","","","","","3","F 41 3 2","F 4d 2 3","210","","","","- C66 H72 N12 -","- C66 H72 N12 -","- C528 H576 N96 -","8","0.0833333","","Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Schiffmann, Florian; Jelfs, Kim E.; Chong, Samantha Y.; Little, Marc A.; Cooper, Andrew I.; Day, Graeme M.","Predicted crystal energy landscapes of porous organic cages","Chemical Science","2014","5","6","2235","","10.1039/c4sc00095a","","x-ray","0.71073","MoKα","","0.127","0.1146","","","0.2692","0.2904","","","","","","1.338","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516031","18.61","0.005","17.503","0.005","46.898","0.005","90","0.005","98.136","0.005","90","0.005","15122","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Br3 Cu N3 O P -","- C40 H31 Br3 Cu N3 O P -","- C640 H496 Br48 Cu16 N48 O16 P16 -","16","2","","Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian","A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action","Chemical Science","2014","5","7","2761","","10.1039/c4sc00384e","","","0.71069","MoKα","","0.1592","0.0849","","","0.2343","0.2537","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516033","6.0714","0.0008","17.224","0.002","19.62","0.003","90","","97.108","0.007","90","","2036","0.5","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","2","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0534","","","","0.1437","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516034","11.615","0.004","8.416","0.003","15.096","0.005","90","","109.245","0.008","90","","1393.2","0.8","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H31 Cl2 N O6 S -","- C29 H31 Cl2 N O6 S -","- C58 H62 Cl4 N2 O12 S2 -","2","1","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0502","","","","0.124","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516107","11.8101","0.0017","12.7217","0.0017","16.841","0.002","72.829","0.006","75.377","0.007","75.493","0.006","2296.4","0.5","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 N O5 S Si -","- C19 H33 N O5 S Si -","- C76 H132 N4 O20 S4 Si4 -","4","2","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","x-ray","0.71073","MoKα","","0.0433","0.0367","","","0.0956","0.1006","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516108","7.248","0.003","12.231","0.004","12.439","0.004","87.85","0.013","81.98","0.007","89.975","0.011","1091.2","0.7","200","1","200","1","","","","","","","Schomaker Lab CSA5062","6","P -1","-P 1","2","not specified","5-((tert-butyldimethylsilyl)oxy)-6-phenethyl-tetrahydrooxazolo[3,4-c][1,2,3]oxathiazepin-8(3H)-one 1,1-dioxide","","- C20 H31 N O6 S Si -","- C20 H31 N O6 S Si -","- C40 H62 N2 O12 S2 Si2 -","2","1","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","x-ray","0.71073","MoKα","","0.0424","0.0341","","","0.083","0.0879","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516109","6.9812","0.0005","22.209","0.002","14.9476","0.0008","90","","96.282","0.004","90","","2303.6","0.3","100","1.5","100","1.5","","","","","","","Schomaker Lab No. CSA5060","6","P 1 21/n 1","-P 2yn","14","5-((tert-butyldimethylsilyl)oxy)-6-phenethyl-tetrahydrooxazolo[3,4-c][1,2,3]oxathiazepin-8(3H)-one 1,1-dioxide","","","- C20 H31 N O6 S Si -","- C20 H31 N O6 S Si -","- C80 H124 N4 O24 S4 Si4 -","4","1","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","","0.71073","4","","0.0298","0.0287","","","","0.0739","","","","","","1.049","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516150","6.5465","0.0017","7.844","0.002","38.945","0.01","90","","90","","90","","1999.9","0.9","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 S -","- C23 H24 O3 S -","- C92 H96 O12 S4 -","4","1","","Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi","In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation","Chemical Science","2014","5","9","3645","","10.1039/C4SC01032A","","","0.71073","MoKα","","0.0559","0.0235","","","0.042","0.0426","","","","","","0.662","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516151","19.0981","0.0016","9.6221","0.0008","22.024","0.003","90","","109.389","0.001","90","","3817.7","0.7","144.5","0.2","144.5","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Mg O4 -","- C46 H46 Mg O4 -","- C184 H184 Mg4 O16 -","4","0.5","","Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei","Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ","Polymer Chemistry","2014","5","15","4580","","10.1039/c4py00384e","","","0.71073","MoKα","","0.0626","0.0437","","","0.1079","0.1192","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516158","28.893","0.005","5.2362","0.001","17.648","0.003","90","","118.696","0.002","90","","2342","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","- C96 H40 Br8 F32 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.05","0.0284","","","0.0638","0.071","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516159","36.953","0.004","5.2778","0.0006","11.5441","0.0012","90","","90.529","0.001","90","","2251.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-dibromooctafluoroazobenzene:azopyridine","","","- C22 H8 Br2 F8 N6 -","- C22 H8 Br2 F8 N6 -","- C88 H32 Br8 F32 N24 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0378","0.027","","","0.0651","0.07","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516160","29.154","0.005","5.2244","0.0009","18.283","0.003","90","","120.726","0.002","90","","2393.8","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C96 H40 F32 I8 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0397","0.0263","","","0.0551","0.0602","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516161","28.722","0.004","5.1901","0.0007","18.22","0.003","90","","120.623","0.001","90","","2337.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H8 F8 I2 N6 -","- C22 H8 F8 I2 N6 -","- C88 H32 F32 I8 N24 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0266","0.0214","","","0.0476","0.0498","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516162","40.225","0.005","5.8436","0.0007","25.726","0.003","90","","123.647","0.001","90","","5034","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C192 H80 F64 I16 N32 -","8","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0389","0.0277","","","0.058","0.0656","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516163","6.0828","0.0011","8.3133","0.0015","12.157","0.002","70.137","0.002","84.722","0.002","79.999","0.002","569.04","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","1","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0286","0.0238","","","0.0561","0.0578","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516164","5.9081","0.0006","8.3193","0.0009","23.198","0.002","94.956","0.001","93.481","0.001","95.848","0.001","1127.25","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Br2 F8 N6 -","- C22 H8 Br2 F8 N6 -","- C44 H16 Br4 F16 N12 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0672","0.0362","","","0.0615","0.0676","","","","","","0.78","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516165","5.8317","0.0006","8.5364","0.0009","23.47","0.003","95.753","0.001","96.748","0.001","95.828","0.001","1146.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C48 H20 F16 I4 N8 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0478","0.0315","","","0.0698","0.0763","","","","","","0.989","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516166","5.8475","0.0018","8.445","0.003","23.132","0.007","94.99","0.003","95.779","0.003","96.339","0.003","1124","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trans-diiodooctafluoroazobenzene:azopyridine","","","- C22 H8 F8 I2 N6 -","- C22 H8 F8 I2 N6 -","- C44 H16 F16 I4 N12 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0371","0.0261","","","0.0534","0.0575","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516167","11.097","0.0009","8.2444","0.0007","26.821","0.002","90","","91.457","0.001","90","","2453","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C96 H40 F32 I8 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0291","0.0224","","","0.0427","0.0446","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516177","26.01","0.002","8.1572","0.0006","28.795","0.002","90","","113.518","0.004","90","","5601.9","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","beta-oCA","tetrachloro-o-benzoquinone, beta form","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C168 Cl112 O56 -","28","7","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.1128","0.0596","","","0.1561","0.1888","","","","","","0.989","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516178","6.0592","0.0004","16.3472","0.0011","8.1183","0.0006","90","","94.249","0.001","90","","801.92","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetrachloro-o-benzoquinone","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C24 Cl16 O8 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0434","0.0393","","","0.1017","0.1057","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516179","9.1022","0.0005","13.8161","0.0008","13.3595","0.0008","90","","100.202","0.001","90","","1653.49","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","durene tetrachloro-o-benzoquinnone","","- C16 H14 Cl4 O2 -","- C16 H14 Cl4 O2 -","- C64 H56 Cl16 O8 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0392","0.0362","","","0.0947","0.097","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516180","8.3157","0.0004","38.967","0.0018","14.2436","0.0006","90","","91.718","0.001","90","","4613.4","0.4","123","2","123","2","","","","","","","","4","P 1 c 1","P -2yc","7","","pyrene tetrachloro-o-benzoquinnone","","- C60 H30 Cl8 O4 -","- C60 H30 Cl8 O4 -","- C240 H120 Cl32 O16 -","4","2","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0543","0.0478","","","0.1074","0.1109","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516181","17","0.005","13.405","0.004","17.205","0.005","90","","97.907","0.01","90","","3883","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5',6',7',8'-Tetrachlorodispiro(1,3-dithiole-2,2'-(1,4)benzodioxine-3',2''-(1,3 )dithiole) dichloromethane solvate","","- C13 H6 Cl6 O2 S4 -","- C13 H6 Cl6 O2 S4 -","- C104 H48 Cl48 O16 S32 -","8","2","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.1004","0.0564","","","0.1074","0.1221","","","","","","0.836","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516182","7.17","0.003","16.961","0.006","12.731","0.005","90","","97.176","0.007","90","","1536.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrathiafulvalene tetrachloro-o-benzoquinnone","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C48 H16 Cl16 O8 S16 -","4","1","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.095","0.0485","","","0.09","0.1003","","","","","","0.773","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516183","10.587","0.005","11.677","0.005","12.74","0.006","63.152","0.007","67.095","0.008","68.555","0.008","1259.4","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrathiafulvalenium Dodecamethylcarba-closo-dodecaboranate diethylether disolvate","","- C35 H80 B11 O4 S4 -","- C35 H80 B11 O4 S4 -","- C35 H80 B11 O4 S4 -","1","0.5","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0628","0.0485","","","0.1363","0.1444","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516184","9.1393","0.0008","13.3909","0.0013","12.5744","0.001","90","","109.609","0.005","90","","1449.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TTf+ Car-","Tetrathiafulvalenium Dodecamethylcarba-closo-dodecaboranate","","- C19 H40 B11 S4 -","- C19 H40 B11 S4 -","- C38 H80 B22 S8 -","2","0.5","","Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K.","Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","10","914","924","10.1039/b607431f","","","0.71073","MoKα","","0.0514","0.0454","","","0.1292","0.1319","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516185","12.4283","0.0009","12.4686","0.0008","12.8462","0.0009","85.951","0.002","88.997","0.001","78.875","0.001","1948.4","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","2","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.0907","0.0444","","","0.1033","0.1284","","","","","","0.998","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516186","25.049","0.003","11.3809","0.0012","14.7771","0.0015","90","","117.603","0.002","90","","3733.2","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.0817","0.0493","","","0.1376","0.1607","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516187","14.8162","0.0012","14.8987","0.0012","8.3482","0.0007","90","","90.134","0.002","90","","1842.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A","Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2006","5","5","449","451","10.1039/b603909j","","","0.71073","MoKα","","0.1383","0.0521","","","0.1212","0.1538","","","","","","0.992","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516239","7.6763","0.0003","10.0446","0.0004","15.7356","0.0006","81.3","0.002","82.163","0.002","86.148","0.002","1186.79","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 F3 O2 -","- C13 H11 F3 O2 -","- C52 H44 F12 O8 -","4","2","","Kohn, Benjamin L.; Rovis, Tomislav","Cobaltate anion couples terminal dienes with trifluoroacetic anhydride: a direct fluoroacylation of 1,3-dienes","Chemical Science","2014","5","7","2889","","10.1039/c4sc00743c","","","0.71073","MoKα","","0.0794","0.0417","","","0.0829","0.0951","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516266","13.6767","0.0004","15.7946","0.0004","16.3191","0.0004","102.448","0.002","93.042","0.002","96.154","0.002","3411.96","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H59 B F15 O7 Si U -","- C76 H59 B F15 O7 Si U -","- C152 H118 B2 F30 O14 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.033","0.0266","","","0.0619","0.0647","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516267","12.8552","0.0003","15.7463","0.0003","16.5535","0.0003","100.009","0.001","103.592","0.001","90.593","0.001","3202.79","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 B F15 O7 Si U -","- C68 H52 B F15 O7 Si U -","- C136 H104 B2 F30 O14 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0339","0.0281","","","0.0741","0.0783","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516268","12.0721","0.0006","12.2867","0.0007","17.884","0.0011","89.672","0.004","80.12","0.004","78.024","0.004","2555.2","0.3","151","2","151","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H37 B F15 O6 Si U -","- C54 H37 B F15 O6 Si U -","- C108 H74 B2 F30 O12 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0482","0.0388","","","0.0984","0.1047","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516269","15.1204","0.0004","16.1764","0.0005","16.4479","0.0005","112.966","0.002","96.391","0.002","115.286","0.002","3157","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C73 H48 B F15 O7 U -","- C73 H48 B F15 O7 U -","- C146 H96 B2 F30 O14 U2 -","2","2","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0736","0.0468","","","0.095","0.1062","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516270","11.6002","0.0006","15.3265","0.0008","22.3436","0.0012","92.48","0.003","95.186","0.002","109.408","0.002","3720","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","compound 1Dy","","- C86 H82 Dy N19 O2 -","- C86 H82 Dy N19 O2 -","- C172 H164 Dy2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0358","0.0286","","","0.0644","0.0675","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516271","11.5308","0.0009","15.2909","0.0012","22.27","0.0018","92.524","0.004","95.122","0.004","109.342","0.004","3678.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","compound 1Er","","- C86 H82 Er N19 O2 -","- C86 H82 Er N19 O2 -","- C172 H164 Er2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0442","0.035","","","0.0788","0.0844","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516272","11.5698","0.0008","15.3429","0.0012","22.3337","0.0017","92.514","0.004","95.132","0.004","109.356","0.004","3714.1","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","compound 1Ho","","- C86 H82 Ho N19 O2 -","- C86 H82 Ho N19 O2 -","- C172 H164 Ho2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0341","0.0266","","","0.0565","0.0588","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516273","16.1537","0.0003","19.955","0.0004","22.8279","0.0005","90","","90","","90","","7358.5","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C76 H118 B2 K2 O8 -","- C76 H118 B2 K2 O8 -","- C304 H472 B8 K8 O32 -","4","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0805","0.0701","","","0.2082","0.2222","","","","","","1.001","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516274","10.3128","0.0002","14.6667","0.0002","19.3119","0.0004","90","","102.005","0.001","90","","2857.13","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 B2 K2 O4 -","- C60 H86 B2 K2 O4 -","- C120 H172 B4 K4 O8 -","2","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","0.71073","MoKα","","0.0791","0.0682","","","0.1642","0.1742","","","","","","1.022","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1516275","11.337","0.0007","11.9746","0.0007","13.9071","0.0006","83.312","0.003","85.92","0.003","88.345","0.002","1869.97","0.18","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 B2 -","- C44 H56 B2 -","- C88 H112 B4 -","2","1","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","0.71073","MoKα","","0.2218","0.1478","","","0.2176","0.2406","","","","","","1.495","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516276","11.5296","0.0009","13.4868","0.0018","14.6512","0.0011","112.337","0.006","111.343","0.004","95.399","0.006","1890","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 B2 Cl4 Co -","- C66 H88 B2 Cl4 Co -","- C66 H88 B2 Cl4 Co -","1","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0665","0.0586","","","0.1638","0.1699","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516277","16.5044","0.0002","23.0305","0.0002","28.6494","0.0003","90","","104.041","0.001","90","","10564.4","0.2","123","0.1","123","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H134 Cl4 Fe2 O4 P4 -","- C116 H134 Cl4 Fe2 O4 P4 -","- C464 H536 Cl16 Fe8 O16 P16 -","4","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.04","0.0382","","","0.109","0.1106","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516278","16.0862","0.0004","23.1908","0.0005","29.2063","0.0006","90","","103.712","0.002","90","","10584.9","0.4","123","0.1","123","0.1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H134 As4 Cl4 Fe2 O4 -","- C116 H134 As4 Cl4 Fe2 O4 -","- C464 H536 As16 Cl16 Fe8 O16 -","4","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.0851","0.0627","","","0.163","0.1837","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516279","18.6002","0.0004","19.1311","0.0002","30.2819","0.0005","89.89","0.001","88.546","0.002","84.899","0.001","10729.4","0.3","123","0.2","123","0.2","","","","","","","see text","8","P -1","-P 1","2","","","","- C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 -","- C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 -","- C464 H534 Cl8 Fe8 N2 O16 P16 S12 -","4","2","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.082","0.0643","","","0.1845","0.1949","","","","","","0.969","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516280","13.6386","0.0005","16.2697","0.0005","23.7755","0.0009","77.294","0.003","86.087","0.003","85.081","0.003","5120.9","0.3","123","0.1","123","0.1","","","","","","","see text","6","P -1","-P 1","2","","","","- C114 H130 Fe2 O4 P4 Se3 -","- C114 H130 Fe2 O4 P4 Se3 -","- C228 H260 Fe4 O8 P8 Se6 -","2","1","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.1485","0.0701","","","0.1808","0.2062","","","","","","0.887","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516281","12.6885","0.0003","13.6189","0.0003","15.8914","0.0003","103.957","0.002","103.841","0.002","103.076","0.002","2467.36","0.11","123","0.2","123","0.2","","","","","","","see text","5","P -1","-P 1","2","","","","- C114 H130 Fe2 O3 S2 -","- C114 H130 Fe2 O3 S2 -","- C114 H130 Fe2 O3 S2 -","1","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.0715","0.0565","","","0.1656","0.1749","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516318","18.0373","0.0004","18.0373","0.0004","18.0373","0.0004","90","","90","","90","","5868.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","I -4 3 d","I -4bd 2c 3","220","","","","- C25 H16 N4 O4 -","- C25 H16 N4 O4 -","- C300 H192 N48 O48 -","12","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0318","0.0317","","","0.0786","0.079","","","","","","1.103","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516319","13.1545","0.0015","13.1545","0.0015","7.9818","0.0009","90","","90","","90","","1381.2","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -4 b 2","P -4 -2ab","117","","","","- C25 H16 N4 O4 -","- C25 H16 N4 O4 -","- C50 H32 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0892","0.0807","","","0.2344","0.2417","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516320","13.421","0.003","13.421","0.003","8.528","0.0019","90","","90","","90","","1536.1","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -4 b 2","P -4 -2ab","117","","","","- C24 H16 N4 O4 Si -","- C24 H16 N4 O4 Si -","- C48 H32 N8 O8 Si2 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.1102","0.0494","","","0.1023","0.1221","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516321","15.7703","0.0005","15.7703","0.0005","7.0717","0.0002","90","","90","","90","","1758.75","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 42/n :2","-P 4bc","86","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0735","0.0685","","","0.21","0.2148","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516327","16.1665","0.0011","10.3002","0.0007","27.3994","0.0019","90","","102.802","0.007","90","","4449.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H76 P2 Pd Si -","- C47 H76 P2 Pd Si -","- C188 H304 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.1038","0.0628","","","0.1269","0.1453","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516328","14.8954","0.0003","18.9114","0.0003","16.6032","0.0012","90","","106.453","0.007","90","","4485.5","0.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H76 P2 Pd Si -","- C47 H76 P2 Pd Si -","- C188 H304 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","1.54178","CuKa","","0.0418","0.0398","","","0.1061","0.1077","","","","","","1.03","","","","has coordinates,has disorder","214153","2020-10-21","18:00:00",""
"1516329","12.6994","0.0016","25.26","0.003","13.3608","0.0017","90","","105.432","0.007","90","","4131.4","0.9","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 O2 P2 Pd Si -","- C43 H64 O2 P2 Pd Si -","- C172 H256 O8 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.076","0.0597","","","0.1117","0.1191","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516330","9.374","0.004","17.3855","0.0007","23.3068","0.001","90","","101.572","0.013","90","","3721.1","1.6","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 P2 Pd Si -","- C39 H60 P2 Pd Si -","- C156 H240 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.0801","0.0629","","","0.1043","0.1101","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516331","10.632","0.003","23.5987","0.0007","19.2983","0.0014","90","","105.726","0.011","90","","4660.7","1.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H71 Al O2 P2 Pd Si -","- C44 H71 Al O2 P2 Pd Si -","- C176 H284 Al4 O8 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.1105","0.0902","","","0.2489","0.2734","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516332","23.517","0.018","21.766","0.018","14.71","0.01","90","","90","","90","","7530","10","223","","223","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H55 F3 O3 P2 Pd S Si -","- C38 H55 F3 O3 P2 Pd S Si -","- C304 H440 F24 O24 P16 Pd8 S8 Si8 -","8","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.097","0.0634","","","0.1291","0.1433","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516333","12.9946","0.0004","14.2318","0.0004","20.8681","0.0015","90","","100.188","0.007","90","","3798.4","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 P2 Pd Si -","- C38.726 H59.315 Cl0.137 P2 Pd Si -","- C154.904 H237.26 Cl0.548 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.05","0.0396","","","0.0793","0.0827","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516463","10.7122","0.0005","16.4862","0.0009","19.402","0.001","101.781","0.003","102.522","0.003","97.189","0.004","3222.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H116 N12 O15 S20 Zn3 -","- C132 H94 N12 O14 S20 Zn3 -","- C132 H94 N12 O14 S20 Zn3 -","1","0.5","","Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi","Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins","Chemical Science","2014","5","10","3888","","10.1039/C4SC00803K","","","0.71073","MoKα","","0.1322","0.0666","","","0.1555","0.1738","","","","","","1.132","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516465","17.6178","0.0009","18.0031","0.001","18.3649","0.001","88.054","0.002","64.192","0.002","73.825","0.002","5010.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H71 Cl4 N34 O29 Zn -","- C65 H71 Cl4 N34 O29 Zn -","- C130 H142 Cl8 N68 O58 Zn2 -","2","1","","Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang","Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains","Polymer Chemistry","2014","5","18","5211","5217","10.1039/c4py00512k","","","0.71073","MoKα","","0.2327","0.1745","","","0.4447","0.4861","","","","","","1.809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516466","23.2417","0.0011","17.5255","0.0006","30.5983","0.0011","90","","108.234","0.004","90","","11837.5","0.9","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C134 H142 Cl20 N68 O89 Zn4 -","- C132 H142 Cl20 N68 O89 Zn4 -","- C264 H284 Cl40 N136 O178 Zn8 -","2","0.5","","Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang","Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains","Polymer Chemistry","2014","5","18","5211","5217","10.1039/c4py00512k","","","0.71073","MoKα","","0.2533","0.1126","","","0.2764","0.3785","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516468","11.7592","0.0008","12.747","0.0009","13.3933","0.0009","98.948","0.004","100.21","0.004","97.418","0.003","1926.2","0.2","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 K N4 O11.5 -","- C36 H35 K N4 O11.5 -","- C72 H70 K2 N8 O23 -","2","1","","Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard","Blue transition metal complexes of a natural bilin-type chlorophyll catabolite","Chemical Science","2014","5","9","3388","","10.1039/C4SC00348A","","","0.71073","MoKα","","0.1111","0.0769","","","0.1824","0.1968","","","","","","1.109","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516469","9.374","0.0003","14.5468","0.0004","19.7294","0.0005","90","","90","","90","","2690.33","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TA523c","","","- C22 H34 N4 O4 Pd S -","- C22 H34 N4 O4 Pd S -","- C88 H136 N16 O16 Pd4 S4 -","4","1","","Poveda, Ana; Alonso, Inés; Fernández-Ibáñez, M. Ángeles","Experimental and computational studies on the mechanism of the Pd-catalyzed C(sp3)‒H γ-arylation of amino acid derivatives assisted by the 2-pyridylsulfonyl group","Chemical Science","2014","5","10","3873","","10.1039/C4SC00848K","","","0.71073","","","0.0201","0.018","","","0.0462","0.048","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516502","11.7724","0.0002","13.4968","0.0003","12.2285","0.0003","90","","110.968","0.002","90","","1814.32","0.07","133","2","133","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C50 H70 Cl8 N10 O12 Ru4 S12 -","4","2","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0238","0.0235","","","0.0634","0.0637","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516503","16.4668","0.0003","19.6645","0.0003","12.6551","0.0003","90","","106.281","0.002","90","","3933.53","0.14","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N2 O7 Ru S3 -","- C13 H18 Cl2 N2 O7 Ru S3 -","- C104 H144 Cl16 N16 O56 Ru8 S24 -","8","2","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","0.71073","MoKα","","0.0362","0.0272","","","0.0567","0.0613","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516504","14.059","0.0002","14.2401","0.0002","15.4559","0.0002","90","","91.983","0.001","90","","3092.44","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F12 N6 O3 P2 Ru -","- C27 H22 F12 N6 O3 P2 Ru -","- C108 H88 F48 N24 O12 P8 Ru4 -","4","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0402","0.0382","","","0.0937","0.0949","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516505","13.5677","0.0007","14.3521","0.0008","15.4809","0.0007","90","","95.869","0.005","90","","2998.7","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl2 F6 N6 O2 P Ru -","- C27 H22 Cl2 F6 N6 O2 P Ru -","- C108 H88 Cl8 F24 N24 O8 P4 Ru4 -","4","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","0.71073","MoKα","","0.0643","0.0471","","","0.1198","0.1357","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516506","14.1173","0.0002","15.5837","0.0002","28.1669","0.0005","90","","90","","90","","6196.71","0.16","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C224 H192 Cl16 F48 N48 O24 P8 Ru8 -","8","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0555","0.0482","","","0.1333","0.1407","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516507","7.4597","0.0011","7.4597","0.0011","14.293","0.004","90","","90","","120","","688.8","0.2","300","","300","","","","","","","","","6","P 63/m","-P 6c","176","lanthanum(III) hexacyanidocobaltate(III) pentahydrate","lanthanum(III) hexacyanidocobaltate(III) pentahydrate","","- C6 H10 Co La N6 O5 -","- C6 H10.0002 Co La N6 O5 -","- C12 H20.0004 Co2 La2 N12 O10 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.85","","","0.1199","0.118","","0.0935","0.0931","0.0927","","","","","","0.9954","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516508","7.3829","0.0008","7.3829","0.0008","13.871","0.002","90","","90","","120","","654.78","0.14","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","potassium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","potassium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","","- C6 H8 Fe K La N6 O4 -","- C6 H6 Fe K La N6 O4 -","- C12 H12 Fe2 K2 La2 N12 O8 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0156","0.0145","","","0.0621","0.0659","","","","","","0.615","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516509","7.1852","0.001","7.1852","0.001","12.238","0.004","90","","90","","120","","547.2","0.2","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","potassium lanthanum(III) hexacyanidoferrate(II)","potassium lanthanum(III) hexacyanidoferrate(II)","","- C6 Fe K La N6 -","- C6 Fe K La N6 -","- C12 Fe2 K2 La2 N12 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.1053","0.1006","","","0.2426","0.2446","","","","","","1.434","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516510","7.431","0.007","12.815","0.011","14.298","0.013","90","","90","","90","","1362","2","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","","- C6 H9 Co N6 O4.5 Pr -","- C6 Co N6 O4.5 Pr -","- C24 Co4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0787","0.0733","","","0.1836","0.1885","","","","","","1.123","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516511","7.523","0.008","13.117","0.014","14.476","0.015","90","","90","","90","","1428","3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","","- C6 H9 Fe N6 O4.5 Pr -","- C6 Fe N6 O4.5 Pr -","- C24 Fe4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0812","0.0733","","","0.1803","0.1869","","","","","","1.096","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516512","7.375","0.004","12.742","0.006","13.653","0.007","90","","90","","90","","1283","1.1","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","samarium(III) hexacyanidocobaltate(III) tetrahydrate","samarium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co N6 O4 Sm -","- C6 Co N6 O4 Sm -","- C24 Co4 N24 O16 Sm4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.035","0.0348","","","0.0858","0.0859","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516513","7.3394","0.0012","12.75","0.002","13.617","0.002","90","","90","","90","","1274.2","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","europium(III) hexacyanidocobaltate(III) tetrahydrate","europium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co Eu N6 O4 -","- C6 Co Eu N6 O4 -","- C24 Co4 Eu4 N24 O16 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.037","0.0368","","","0.1009","0.101","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516514","7.242","0.003","12.578","0.005","13.361","0.005","90","","90","","90","","1217.1","0.8","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Lu N6 Na O3 -","- C6 Fe Lu N6 Na O3 -","- C24 Fe4 Lu4 N24 Na4 O12 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0549","0.0542","","","0.1306","0.1317","","","","","","1.31","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516515","7.2338","0.0005","7.2338","0.0005","14.2923","0.0009","90","","90","","120","","647.69","0.08","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","","- C6 H8 Fe La Li N6 O4 -","- C6 Fe La Li N6 O4 -","- C12 Fe2 La2 Li2 N12 O8 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0465","0.0461","","","0.1414","0.1417","","","","","","1.281","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516516","7.2309","0.0007","12.5358","0.0012","13.2519","0.0013","90","","90","","90","","1201.2","0.2","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Li Lu N6 O3 -","- C6 Fe Li Lu N6 O2.58 -","- C24 Fe4 Li4 Lu4 N24 O10.32 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0538","0.0529","","","0.1421","0.1427","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516530","10.795","0.005","12.323","0.005","13.68","0.005","79.363","0.005","87.377","0.005","88.428","0.005","1786.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 2a","","","- C39 H55 F N3 Nb -","- C39 H55 F N3 Nb -","- C78 H110 F2 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71069","MoKα","","0.024","0.0224","","","0.0576","0.0587","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516531","10.8194","0.001","12.3148","0.0012","13.7249","0.0013","79.695","0.006","87.396","0.006","88.376","0.006","1797","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 2c","","","- C39 H53 F2 N3 Nb -","- C39 H53 F2 N3 Nb -","- C78 H106 F4 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0677","0.0445","","","0.0746","0.0829","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516532","10.9151","0.0004","12.301","0.0004","13.7072","0.0005","79.714","0.002","87.243","0.002","88.804","0.002","1808.6","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 2d","","","- C39 H54 F2 N3 Nb -","- C39 H54 F2 N3 Nb -","- C78 H108 F4 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0371","0.0302","","","0.0672","0.0702","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516533","12.7898","0.0005","11.5223","0.0004","24.9612","0.0009","90","","91.217","0.001","90","","3677.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex h","","","- C39 H52 F4 N3 Nb -","- C39 H52 F4 N3 Nb -","- C156 H208 F16 N12 Nb4 -","4","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0522","0.0368","","","0.0862","0.0929","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516534","11.473","0.0004","12.9171","0.0004","14.4931","0.0004","113.07","0.008","100.094","0.007","90.982","0.006","1936.74","0.17","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 Fe2 N6 O18 -","- C30 H40 Cl2 Fe2 N6 O18 -","- C60 H80 Cl4 Fe4 N12 O36 -","2","1","","Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari","Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand","Chemical Science","2014","5","6","2282","","10.1039/c3sc51541a","","","0.71075","MoKα","","","0.0281","","","","0.0757","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516535","11.5827","0.0003","13.4954","0.0003","14.5372","0.0003","114.729","0.008","99.954","0.007","90.485","0.006","2024.6","0.17","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H38 F6 Fe2 N6 O15 S2 -","- C32 H38 F6 Fe2 N6 O15 S2 -","- C64 H76 F12 Fe4 N12 O30 S4 -","2","1","","Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari","Roles of carboxylate donors in O–O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand","Chemical Science","2014","5","6","2282","","10.1039/c3sc51541a","","","0.71075","MoKα","","","0.0257","","","","0.0814","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516536","20.78","0.002","34.908","0.004","14.4254","0.0015","90","","90","","90","","10464","1.9","100","2","100","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","avm02","","","- C236 H212 N20 O66 S4 Zn16 -","- C236 H172 N20 O66 S4 Zn16 -","- C236 H172 N20 O66 S4 Zn16 -","1","0.125","","Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L.","Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF","Chemical Science","2014","5","6","2297","","10.1039/c4sc00462k","","","0.7749","synchrotron","","0.1359","0.0991","","","0.3217","0.3569","","","","","","1.39","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516537","11.9954","0.0001","11.9954","0.0001","13.9537","0.0003","90","","90","","90","","2007.79","0.05","123","1","123","1","","","","","","","see text","4","I -4","I -4","82","","","","- C40 H60 Cr4 P4 -","- C40 H60 Cr4 P4 -","- C80 H120 Cr8 P8 -","2","0.25","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0363","0.0356","","","0.0922","0.0929","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516538","15.3898","0.0003","18.4053","0.0003","21.8004","0.0004","90","","90","","90","","6175.05","0.19","123","1","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C30 H45 As2 Cr3 -","- C30 H45 As2 Cr3 -","- C240 H360 As16 Cr24 -","8","1","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0284","0.028","","","0.0754","0.0757","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516539","14.595","0.005","9.371","0.003","15.859","0.004","90","","114.51","0.016","90","","1973.6","1.1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N3 O6 P Ru -","- C18 H24 N3 O6 P Ru -","- C72 H96 N12 O24 P4 Ru4 -","4","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","0.71073","MoKα","","0.0868","0.0715","","","0.1986","0.2253","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516540","11.58624","0.00012","15.39855","0.00014","13.23391","0.00014","90","","98.3744","0.001","90","","2335.9","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N4 O5 P Ru -","- C21 H31 N4 O5 P Ru -","- C84 H124 N16 O20 P4 Ru4 -","4","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","1.54178","CuKα","","0.0261","0.0254","","","0.069","0.0695","","","","","","1.069","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516541","9.8881","0.0008","12.5811","0.0009","12.6829","0.001","72.028","0.007","67.58","0.007","67.069","0.007","1319.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 N8 O14 P2 Ru2 -","- C50 H68 N8 O14 P2 Ru2 -","- C50 H68 N8 O14 P2 Ru2 -","1","0.5","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","0.71073","MoKα","","0.0639","0.0491","","","0.1154","0.1246","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516542","13.7555","0.0004","14.6826","0.0005","16.8467","0.0004","70.736","0.003","76.491","0.002","64.286","0.003","2877.47","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N8 O11 P2 Ru2 -","- C50 H62 N8 O11 P2 Ru2 -","- C100 H124 N16 O22 P4 Ru4 -","2","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","1.54178","CuKα","","0.0344","0.0323","","","0.0821","0.083","","","","","","1.127","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516543","14.111","0.003","17.412","0.003","15.429","0.003","90","","90.833","0.004","90","","3790.5","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl Ir N2 -","- C19 H28 Cl Ir N2 -","- C152 H224 Cl8 Ir8 N16 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0785","0.0468","","","0.0682","0.0758","","","","","","0.848","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516544","7.6461","0.0017","8.621","0.002","27.688","0.006","90","","92.184","0.004","90","","1823.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl Ir N S -","- C18 H25 Cl Ir N S -","- C72 H100 Cl4 Ir4 N4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0406","0.0318","","","0.0571","0.0598","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516545","10.73","0.002","14.462","0.003","16.791","0.004","90","","104.557","0.003","90","","2521.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl3 Ir N S -","- C24 H29 Cl3 Ir N S -","- C96 H116 Cl12 Ir4 N4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0456","0.0397","","","0.0971","0.0995","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516546","12.207","0.005","25.172","0.011","13.887","0.006","90","","108.18","0.008","90","","4054","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl Ir N -","- C22 H29 Cl Ir N -","- C176 H232 Cl8 Ir8 N8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0587","0.0389","","","0.0638","0.0679","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516547","8.1332","0.0016","27.444","0.005","17.333","0.003","90","","95.18","0.004","90","","3853.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl Ir N -","- C20 H27 Cl Ir N -","- C160 H216 Cl8 Ir8 N8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0569","0.0403","","","0.0698","0.0739","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516548","7.5951","0.0016","8.5873","0.0019","28.051","0.006","90","","92.441","0.004","90","","1827.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl N Rh S -","- C18 H25 Cl N Rh S -","- C72 H100 Cl4 N4 Rh4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0712","0.0464","","","0.0736","0.08","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516549","10.631","0.003","14.413","0.004","16.681","0.004","90","","104.834","0.005","90","","2470.8","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl3 N Rh S -","- C24 H29 Cl3 N Rh S -","- C96 H116 Cl12 N4 Rh4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0928","0.0517","","","0.079","0.0878","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516550","12.211","0.003","25.326","0.005","13.879","0.003","90","","108.751","0.004","90","","4064.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl N Rh -","- C22 H29 Cl N Rh -","- C176 H232 Cl8 N8 Rh8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0579","0.0402","","","0.0736","0.0783","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516551","11.904","0.007","12.224","0.007","13.994","0.008","107.153","0.001","110.035","0.001","103.564","0.001","1695.5","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H40 B2 F8 Fe N6 O5 -","- C31 H32 B2 F8 Fe N6 O3 -","- C62 H64 B4 F16 Fe2 N12 O6 -","2","1","","Jeon, Ie-Rang; Park, Jesse G.; Haney, Chad R.; Harris, T. David","Spin crossover iron(ii) complexes as PARACEST MRI thermometers","Chemical Science","2014","5","6","2461","","10.1039/c4sc00396a","","","0.71073","MoKα","","0.0541","0.0444","","","0.1101","0.1148","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516552","13.2199","0.0001","34.9437","0.0002","18.4595","0.0001","90","","105.914","0.0002","90","","8200.57","0.09","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Ir(PCy3)2(H)2(AB)][BArCl4]","","- C69.8 H92.54 B2 Cl8 F3.27 Ir N P2 -","- C69.804 H92.536 B2 Cl8 F3.268 Ir N P2 -","- C279.216 H370.144 B8 Cl32 F13.072 Ir4 N4 P8 -","4","1","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0613","0.0553","","0.1389","0.1376","0.1389","","","","","","1.0845","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516553","16.435","0.003","17.3","0.004","20.951","0.004","90","","90","","90","","5957","2","150","2","150","2","","","","","","","","6","P 21 2 21","P 2ac 2ac","18","","","","- C112.5 H163 B2 F25 Ir2 P4 -","- C110 H157 B2 F25 Ir2 P4 -","- C220 H314 B4 F50 Ir4 P8 -","2","0.5","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0451","0.034","","","0.0863","0.0927","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516554","12.7377","0.0001","12.8491","0.0001","25.1406","0.0002","99.5231","0.0004","98.255","0.0003","95.4001","0.0003","3986.57","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","[IrH2PCy3-trimer][BArCl]","","- C70 H118 B4 Cl8 Ir N3 P2 -","- C70 H118 B4 Cl8 Ir N3 P2 -","- C140 H236 B8 Cl16 Ir2 N6 P4 -","2","1","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0438","0.0353","","0.0795","0.0763","0.0795","","","","","","1.0098","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516555","16.5774","0.0007","16.5774","0.0007","10.5446","0.0005","90","","90","","120","","2509.54","0.19","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H23 B Mn O3 P -","- C15 H23 B Mn O3 P -","- C90 H138 B6 Mn6 O18 P6 -","6","0.5","","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","","0.0491","0.0424","","","0.1013","0.105","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516556","24.302","0.002","7.8695","0.0007","21.291","0.002","90","","115.979","0.007","90","","3660.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B Mn N2 O2 -","- C18 H24 B Mn N2 O2 -","- C144 H192 B8 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","","0.0619","0.047","","","0.1011","0.1056","","","","","","1.066","","","","has coordinates,has disorder","176729","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",""
"1516558","24.5671","0.0014","8.1978","0.0005","18.4064","0.001","90","","111.169","0.002","90","","3456.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 B Mn N O2 -","- C18 H23 B Mn N O2 -","- C144 H184 B8 Mn8 N8 O16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0316","0.0282","","","0.0756","0.0776","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516559","14.4606","0.0011","12.5027","0.0009","18.2085","0.0013","90","","93.815","0.003","90","","3284.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B Mn N2 O2 -","- C16 H22 B Mn N2 O2 -","- C128 H176 B8 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","","0.0955","0.0745","","","0.1758","0.1857","","","","","","1.206","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516560","15.2676","0.0007","8.5852","0.0004","15.8554","0.0007","90","","113.848","0.001","90","","1900.81","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 B4 Mn4 N8 O8 -","- C76 H100 B4 Mn4 N8 O8 -","- C76 H100 B4 Mn4 N8 O8 -","1","0.25","","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","","0.0302","0.0279","","","0.07","0.0718","","","","","","1.04","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516561","13.024","0.008","9.225","0.004","19.975","0.009","90","","90","","90","","2400","2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H32 B Mn N2 O3 -","- C26 H32 B Mn N2 O3 -","- C104 H128 B4 Mn4 N8 O12 -","4","0.5","","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","","0.0507","0.0444","","","0.1116","0.1156","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516562","14.3661","0.0007","12.0848","0.0006","18.962","0.0009","90","","90","","90","","3292","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H29 B N2 -","- C15 H29 B N2 -","- C120 H232 B8 N16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0694","0.0559","","","0.144","0.1541","","","","","","1.041","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516563","17.7553","0.0006","4.9562","0.0002","13.1145","0.0004","90","","95.52","0.002","90","","1148.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C56 H48 F4 N4 O8 -","4","1","","Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter","Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","6","2422","2427","10.1039/C4SC00697F","","","1.54178","CuKα","","0.0475","0.0358","","","0.0844","0.0907","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516564","24.8585","0.0005","24.8585","0.0005","16.8633","0.0003","90","","90","","120","","9024.5","0.3","228","2","228","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H15 F5 N2 O3 -","- C20 H15 F5 N2 O3 -","- C360 H270 F90 N36 O54 -","18","1","","Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter","Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","6","2422","2427","10.1039/C4SC00697F","","","1.54178","CuKα","","0.0585","0.0428","","","0.1095","0.1229","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516565","13.3371","0.0004","19.9237","0.0006","34.7236","0.001","90","","90","","90","","9226.9","0.5","100","2","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 N O4 P -","- C52 H70 N O4 P -","- C416 H560 N8 O32 P8 -","8","2","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0357","0.0349","","","0.0937","0.0948","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516566","12.2225","0.0002","20.8872","0.0003","21.6966","0.0003","90","","90","","90","","5539.01","0.14","100","2","100.08","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C60 H69 B Cl2 F4 N O4 P Pd -","- C60 H69 B Cl2 F4 N O4 P Pd -","- C240 H276 B4 Cl8 F16 N4 O16 P4 Pd4 -","4","1","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0253","0.0234","","","0.052","0.0526","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516567","16.2647","0.0005","14.5206","0.0005","9.6475","0.0003","90","","90","","90","","2278.48","0.13","270","","270","","","","","","","","","5","P b a n","-P 2ab 2b","50","NO2-DMOF","","","- C22 H18 N4 O12 Zn2 -","- C22 H16 N4 O12 Zn2 -","- C44 H32 N8 O24 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0704","0.0627","","","0.2025","0.2116","","","","","","1.16","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516568","15.25553","0.00012","15.25553","0.00012","19.3129","0.0002","90","","90","","90","","4494.71","0.07","250","","250","","","","","","","","","5","I 4/m c m","-I 4 2c","140","NO2-DMOF_dmso","","","- C22 H18 N4 O12 Zn2 -","- C22 H16 N4 O12 Zn2 -","- C88 H64 N16 O48 Zn8 -","4","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0615","0.0606","","","0.1995","0.2012","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516569","10.94325","0.00007","10.94325","0.00007","9.67577","0.0001","90","","90","","90","","1158.72","0.016","250","","250","","","","","","","","","5","P 4/m m m","-P 4 2","123","NO2-DMOF_mesitylen","","","- C22 H18 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","1","0.0625","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.047","0.047","","","0.1619","0.1619","","","","","","1.312","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516570","10.90313","0.00018","10.90313","0.00018","9.649","0.0003","90","","90","","90","","1147.06","0.04","290","","290","","","","","","","","","5","P 4/m m m","-P 4 2","123","NO2-DMOF_toluene","","","- C22 H18 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","1","0.0625","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0548","0.0544","","","0.1607","0.1615","","","","","","1.153","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516571","15.0609","0.0008","15.0609","0.0008","19.2433","0.0013","90","","90","","90","","4365","0.4","270","0.14","270","0.14","","","","","","","","5","I 4/m c m","-I 4 2c","140","DMOF","","","- C34 H48 N6 O12 Zn2 -","- C34 H44 N6 O12 Zn2 -","- C136 H176 N24 O48 Zn8 -","4","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","0.7107","MoKα","","0.0844","0.0568","","","0.1558","0.1811","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516572","15.4195","0.0004","15.4195","0.0004","9.6416","0.0004","90","","90","","90","","2292.4","0.13","290","1","290","1","","","","","","","","5","P 4/m b m","-P 4 2ab","127","ndc-DMOF","","","- C30 H24 N2 O8 Zn2 -","- C30 H24 N2 O8 Zn2 -","- C60 H48 N4 O16 Zn4 -","2","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","0.7107","MoKα","","0.0622","0.0407","","","0.1598","0.1704","","","","","","1.232","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516573","16.3684","0.0004","14.4237","0.0003","9.6406","0.0002","90","","90","","90","","2276.08","0.09","270","2","270.15","","","","","","","","","6","P b a n","-P 2ab 2b","50","Br-DMOF","","","- C22 H18 Br2 N2 O8 Zn2 -","- C22 H18 Br2 N2 O8 Zn2 -","- C44 H36 Br4 N4 O16 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0594","0.0554","","","0.1571","0.1612","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516588","10.4251","0.0006","20.765","0.0012","44.289","0.003","90","","90","","90","","9587.6","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H73 N Si Th -","- C47 H73 N Si Th -","- C376 H584 N8 Si8 Th8 -","8","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0457","0.0324","","","0.0636","0.0664","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516589","16.578","0.003","16.572","0.003","17.515","0.003","90","","97.936","0.003","90","","4765.8","1.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H75 N Si Th -","- C53 H75 N Si Th -","- C212 H300 N4 Si4 Th4 -","4","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0912","0.051","","","0.1213","0.1463","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516590","10.436","0.002","15.509","0.003","20.314","0.004","92.787","0.003","92.25","0.003","109.072","0.003","3098.4","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H87 N3 Th -","- C54 H87 N3 Th -","- C108 H174 N6 Th2 -","2","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0851","0.0776","","","0.2236","0.2304","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516591","13.4923","0.0002","13.5958","0.0002","15.0327","0.0002","108.107","0.001","104.82","0.001","90.868","0.001","2520.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Cl2 N8 O6 Zn2 -","- C50 H62 Cl2 N8 O6 Zn2 -","- C100 H124 Cl4 N16 O12 Zn4 -","2","1","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","0.71073","MoKα","","0.0526","0.038","","","0.0956","0.1026","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516592","11.7828","0.0003","14.8129","0.0004","17.4408","0.0005","94.041","0.002","107.638","0.002","95.432","0.002","2872.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H116 Co4 N16 O13 -","- C118 H116 Co4 N16 O13 -","- C118 H116 Co4 N16 O13 -","1","0.5","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","0.71073","MoKα","","0.1935","0.0796","","","0.1716","0.2153","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516593","12.0189","0.0003","14.7702","0.0004","14.7768","0.0004","107.972","0.002","96.642","0.002","95.331","0.002","2455.4","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Cl2 N8 Ni2 O6 -","- C50 H62 Cl2 N8 Ni2 O6 -","- C100 H124 Cl4 N16 Ni4 O12 -","2","1","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","0.71073","MoKα","","0.0846","0.0469","","","0.0979","0.1123","","","","","","1.011","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516594","30.8673","0.0007","14.8514","0.0003","10.3727","0.0002","90","","94.543","0.002","90","","4740.14","0.17","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O -","- C26 H28 N4 O -","- C208 H224 N32 O8 -","8","1","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","1.54184","CuKα","","0.0747","0.0575","","","0.1533","0.1677","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516597","10.8564","0.0004","14.3921","0.0004","18.5751","0.0006","77.707","0.003","84.454","0.003","69.815","0.003","2660.74","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Br N2 O3 S -","- C30 H25 Br N2 O3 S -","- C120 H100 Br4 N8 O12 S4 -","4","2","","Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu","Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines","Chemical Science","2014","5","10","4057","","10.1039/C4SC00983E","","","0.71073","MoKα","","0.0643","0.0468","","","0.1204","0.13","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516598","12.621","0.0006","9.6352","0.0007","21.5566","0.0018","90","","94.967","0.005","90","","2611.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Br N2 O3 S -","- C29 H27 Br N2 O3 S -","- C116 H108 Br4 N8 O12 S4 -","4","1","","Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu","Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines","Chemical Science","2014","5","10","4057","","10.1039/C4SC00983E","","","0.71073","MoKα","","0.1057","0.0623","","","0.1446","0.1724","","","","","","0.88","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516599","8.9952","0.0011","12.0644","0.0013","23.969","0.003","80.621","0.003","83.006","0.004","66.929","0.003","2356.3","0.5","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H72 Cl2 In2 N4 Si8 -","- C24 H72 Cl2 In2 N4 Si8 -","- C48 H144 Cl4 In4 N8 Si16 -","2","1","","Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū","A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation","Chem. Sci.","2014","5","10","3958","","10.1039/C4SC01332H","","","0.71075","MoKα","","","0.0497","","","","0.1186","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516666","7.6549","0.0007","11.1028","0.0011","10.9893","0.0011","90","","90","","90","","933.99","0.16","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","3c","iodo(pentacarbonyl)rhenium(I)","","- C5 I O5 Re -","- C5 I O5 Re -","- C20 I4 O20 Re4 -","4","0.25","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0389","0.039","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516667","11.7723","0.0015","11.5071","0.0015","6.1089","0.0008","90","","90","","90","","827.54","0.19","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4b","bromo(pentacarbonyl)manganese(I)","","- C5 Br Mn O5 -","- C5 Br Mn O5 -","- C20 Br4 Mn4 O20 -","4","0.5","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0339","0.0278","","","0.0749","0.0776","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516668","12.6739","0.0006","11.2202","0.0006","19.9289","0.001","90","","104.719","0.001","90","","2741","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7","bis(1,10-phenanthroline)di(carbonyl)rhenium(I) perrhenate(VII) acetonitrile solvate 1/1","","- C28 H19 N5 O6 Re2 -","- C28 H19 N5 O6 Re2 -","- C112 H76 N20 O24 Re8 -","4","1","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0499","0.0323","","","0.0648","0.0707","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516669","8.3989","0.0009","12.4017","0.001","17.7936","0.0019","88.626","0.006","88.89","0.008","81.912","0.006","1834.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 S Si2 -","- C40 H50 S Si2 -","- C80 H100 S2 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0511","0.0395","","","0.0997","0.1071","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516670","7.4177","0.001","14.5332","0.0016","18.922","0.002","73.889","0.008","84.135","0.01","78.229","0.01","1916.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 S2 Si2 -","- C42 H50 S2 Si2 -","- C84 H100 S4 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0738","0.053","","","0.1247","0.1356","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516671","7.0866","0.0008","16.2124","0.0019","26.849","0.003","85.812","0.01","84.502","0.007","77.978","0.007","2998.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S Si2 -","- C34 H38 S Si2 -","- C136 H152 S4 Si8 -","4","2","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.1495","0.1233","","","0.2892","0.3028","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516672","7.5217","0.0004","14.0563","0.0008","20.336","0.0011","73.188","0.004","81.718","0.004","82.685","0.004","2028.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 S3 Si2 -","- C44 H50 S3 Si2 -","- C88 H100 S6 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0642","0.0493","","","0.1232","0.133","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516673","15.913","0.006","11.398","0.004","6.921","0.002","90","","90","","90","","1255.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H8 O2 S -","- C18 H8 O2 S -","- C72 H32 O8 S4 -","4","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","0.71073","MoKα","","0.096","0.0529","","","0.1001","0.1145","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516674","12.983","0.004","3.9148","0.0012","14.969","0.004","90","","111.93","0.02","90","","705.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 O2 S2 -","- C20 H8 O2 S2 -","- C40 H16 O4 S4 -","2","0.5","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.1084","0.0848","","","0.2128","0.2292","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516675","27.927","0.004","8.0895","0.0012","38.227","0.005","90","","98.822","0.002","90","","8534","2","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Fe N4 O3 S -","- C28 H33 Fe N4 O3 S -","- C336 H396 Fe12 N48 O36 S12 -","12","3","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.0854","0.0478","","","0.0996","0.1135","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516676","16.745","0.003","8.1442","0.0014","22.278","0.004","90","","93.72","0.002","90","","3031.8","0.9","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Fe N4 O2 S -","- C31 H39 Fe N4 O2 S -","- C124 H156 Fe4 N16 O8 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.057","0.0439","","","0.1268","0.1378","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516677","12.028","0.003","14.71","0.003","16.167","0.004","90","","104.944","0.003","90","","2763.7","1.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl Fe N4 O2 S -","- C27 H30 Cl Fe N4 O2 S -","- C108 H120 Cl4 Fe4 N16 O8 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.079","0.0419","","","0.0942","0.1109","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516678","15.596","0.003","7.9152","0.0017","23.348","0.005","90","","107.772","0.003","90","","2744.7","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Fe N5 O4 S -","- C27 H30 Fe N5 O4 S -","- C108 H120 Fe4 N20 O16 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.0664","0.0402","","","0.0893","0.1012","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516679","12.1808","0.0003","12.1808","0.0003","44.474","0.002","90","","90","","90","","6598.7","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C70 H98 Mg O13 Zn2 -","- C70 H98 Mg O13 Zn2 -","- C280 H392 Mg4 O52 Zn8 -","4","0.5","","Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva","Structural and reactivity insights in Mg–Zn hybrid chemistry: Zn–I exchange and Pd-catalysed cross-coupling applications of aromatic substrates","Chemical Science","2014","5","9","3552","","10.1039/C4SC01263A","","","0.71073","MoKα","","0.097","0.0667","","","0.1729","0.1841","","","","","","0.962","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516680","16.1212","0.0008","9.5045","0.0006","24.1563","0.0014","90","","98.132","0.005","90","","3664.1","0.4","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl I Mg N2 O5 Zn -","- C34 H48 Cl I Mg N2 O5 Zn -","- C136 H192 Cl4 I4 Mg4 N8 O20 Zn4 -","4","1","","Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva","Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates","Chemical Science","2014","5","9","3552","","10.1039/C4SC01263A","","","0.71069","MoKα","","0.0838","0.0384","","","0.054","0.0589","","","","","","0.815","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516681","17.7109","0.0007","28.5979","0.0015","31.0744","0.0019","67.271","0.005","79.167","0.004","84.672","0.004","14254.5","1.4","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C91.81 H109.81 Cl6.44 Cu F N4 O10 -","- C91.8123 H109.812 Cl6.437 Cu F N4 O10 -","- C550.874 H658.874 Cl38.622 Cu6 F6 N24 O60 -","6","3","","Brugnara, Andrea; Topić, Filip; Rissanen, Kari; Lande, Aurélien de la; Colasson, Benoit; Reinaud, Olivia","Selective recognition of fluoride anion in water by a copper(ii) center embedded in a hydrophobic cavity","Chemical Science","2014","5","10","3897","","10.1039/C4SC01457J","","x-ray","1.54184","CuKα","","0.2215","0.1384","","","0.3579","0.4234","","","","","","1.272","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516716","9.059","0.004","15.197","0.006","23.751","0.01","73.595","0.008","88.406","0.014","81.684","0.012","3103","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Ir2 N8 O9 Y -","- C68 H44 Ir2 N8 O9 Y -","- C136 H88 Ir4 N16 O18 Y2 -","2","1","","Li, Lina; Zhang, Shuquan; Xu, Liangjin; Wang, Jinyun; Shi, Lin-Xi; Chen, Zhong-Ning; Hong, Maochun; Luo, Junhua","Effective visible-light driven CO2photoreduction via a promising bifunctional iridium coordination polymer","Chemical Science","2014","5","10","3808","","10.1039/C4SC00940A","","","0.71073","MoKα","","0.1059","0.0641","","","0.1239","0.1503","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516717","11.0962","0.0017","21.8","0.003","19.774","0.003","90","","105.379","0.003","90","","4612","1.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 O -","- C30 H22 N2 O -","- C240 H176 N16 O8 -","8","2","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1376","0.0721","","","0.1811","0.2139","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516718","12.859","0.005","15.737","0.006","25.688","0.01","90","","90","","90","","5198","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1182","0.0768","","","0.1763","0.2019","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516719","19.548","0.009","18.292","0.008","21.819","0.01","90","","108.996","0.005","90","","7377","6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H20.6667 N2 O0.3333 -","- C29 H20 N2 O0.333333 -","- C348 H240 N24 O4 -","12","3","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.3205","0.1879","","","0.3855","0.4361","","","","","","1.625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516720","12.852","0.005","15.692","0.005","25.641","0.008","90","","90","","90","","5171","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1022","0.0763","","","0.1726","0.1886","","","","","","1.13","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516768","8.0301","0.0005","16.9861","0.0011","17.595","0.0011","64.243","0.004","80.825","0.006","77.765","0.005","2106.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl F12 N5 S4 -","- C40 H32 Cl F12 N5 S4 -","- C80 H64 Cl2 F24 N10 S8 -","2","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","0.71075","MoKα","","0.1221","0.0683","","","0.1492","0.1769","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516769","11.0175","0.0006","12.8086","0.0007","12.9025","0.0007","91.871","0.002","113.774","0.002","96.73","0.002","1648.39","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 N2 O3 S -","- C34 H50 N2 O3 S -","- C68 H100 N4 O6 S2 -","2","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","0.71073","MoKα","","0.084","0.046","","","0.0965","0.1109","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516770","8.0488","0.0001","11.6233","0.0001","19.2104","0.0001","90","","90.883","0.001","90","","1796.99","0.03","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O S3 -","- C18 H18 N2 O S3 -","- C72 H72 N8 O4 S12 -","4","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","1.5418","CuKα","","0.0315","0.0296","","","0.1166","0.1199","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516771","18.2073","0.0006","11.9379","0.0002","19.5492","0.0006","90","","115.355","0.004","90","","3839.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N2 O2 S4 -","- C36 H56 N2 O2 S4 -","- C144 H224 N8 O8 S16 -","4","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","1.54184","CuKα","","0.104","0.0742","","","0.2098","0.2305","","","","","","1.11","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516783","9.6372","0.0002","13.2613","0.0002","20.4245","0.0004","79.8271","0.0015","76.8586","0.0016","86.464","0.0016","2501.34","0.08","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C61 H51 N7 O6 -","- C61 H51 N7 O6 -","- C122 H102 N14 O12 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.0602","0.0428","","","0.1114","0.1212","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516784","11.64397","0.00005","24.31232","0.00011","15.4118","0.00006","90","","104.526","0.0004","90","","4223.49","0.03","160","1","160","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 N5 O6 -","- C51 H45 N5 O6 -","- C204 H180 N20 O24 -","4","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.044","0.0424","","","0.1122","0.1134","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516785","30.3556","0.0006","5.611","0.0001","13.1495","0.0002","90","","92.9605","0.0012","90","","2236.7","0.07","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N3 O2 -","- C31 H19 N3 O2 -","- C124 H76 N12 O8 -","4","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.1069","0.0493","","","0.0975","0.1193","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516786","14.2809","0.0002","15.6419","0.0002","17.7181","0.0003","100.41","0.001","107.925","0.002","94.131","0.001","3669.16","0.11","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H61 F12 Fe N7 O6 P2 -","- C62 H38 F12 Fe N6 O4 P2 -","- C124 H76 F24 Fe2 N12 O8 P4 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0777","0.0635","","","0.1867","0.1956","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516787","14.138","0.005","14.332","0.005","19.077","0.005","91.222","0.005","108.825","0.005","93.257","0.005","3650","2","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H67 F12 N9 O6 P2 Ru -","- C64 H41 F12 N7 O4 P2 Ru -","- C128 H82 F24 N14 O8 P4 Ru2 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71069","MoKα","","0.1017","0.0789","","","0.2135","0.2286","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516788","14.38087","0.00019","14.4368","0.00017","19.8","0.0002","96.8363","0.0009","107.786","0.001","91.1601","0.001","3879.48","0.08","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H66 F12 N12 O5 P2 Zn -","- C66 H44 F12 N8 O4 P2 Zn -","- C132 H88 F24 N16 O8 P4 Zn2 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0558","0.0482","","","0.1406","0.1459","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516789","32.6617","0.0014","8.8705","0.0003","25.8704","0.0009","90","","93.738","0.004","90","","7479.4","0.5","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H37 N5 O4 -","- C47 H37 N5 O4 -","- C376 H296 N40 O32 -","8","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.1136","0.0751","","","0.1909","0.2239","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516790","17.3266","0.0002","21.9786","0.0003","23.2172","0.0002","99.59","0.001","108.832","0.001","107.228","0.001","7649.13","0.18","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C142 H107 Ag2 F36 Fe2 N33 O8 P6 -","- C116 H68 Ag2 F36 Fe2 N20 O8 P6 -","- C232 H136 Ag4 F72 Fe4 N40 O16 P12 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0904","0.0749","","","0.2149","0.2252","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516791","14.9414","0.0002","15.3956","0.0002","18.3235","0.0002","94.4451","0.0012","91.636","0.0011","113.008","0.0014","3860.05","0.09","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H50.5 Cu F18 Fe N15.5 O4 P3 -","- C62 H40 Cu F18 Fe N12 O4 P3 -","- C124 H80 Cu2 F36 Fe2 N24 O8 P6 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.082","0.0643","","","0.1931","0.2069","","","","","","1.084","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1516792","6.6274","0.0003","9.4654","0.0003","12.3549","0.0004","82.12","0.002","80.651","0.003","79.408","0.002","747.1","0.05","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 I2 N2 O8 -","- C34 H26 I2 N2 O8 -","- C34 H26 I2 N2 O8 -","1","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0226","0.0209","","","0.0547","0.0557","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516793","6.7598","0.0004","22.6656","0.0013","9.1153","0.0005","90","","101.623","0.002","90","","1367.96","0.14","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br2 N4 O8 -","- C28 H28 Br2 N4 O8 -","- C56 H56 Br4 N8 O16 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0227","0.0226","","","0.0576","0.0576","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516794","6.6819","0.0003","22.978","0.0011","8.8554","0.0004","90","","101.576","0.002","90","","1331.97","0.11","100","2","99.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N4 O8 -","- C28 H28 Cl2 N4 O8 -","- C56 H56 Cl4 N8 O16 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0329","0.0315","","","0.0827","0.0837","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516795","7.2221","0.0005","9.4868","0.0007","13.2822","0.0009","93.245","0.003","102.205","0.003","99.769","0.003","872.51","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 I2 N3 O6 -","- C15 H13 I2 N3 O6 -","- C30 H26 I4 N6 O12 -","2","1","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0436","0.0383","","","0.1057","0.1098","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516796","7.3668","0.0002","5.4181","0.0002","12.525","0.0004","90","","92.257","0.002","90","","499.54","0.03","100","2","99.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 Br2 N2 O4 -","- C10 H2 Br2 N2 O4 -","- C20 H4 Br4 N4 O8 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","0.71073","MoKα","","0.0241","0.0216","","","0.055","0.0568","","","","","","1.124","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516797","7.1051","0.0012","5.4752","0.001","12.252","0.002","90","","90.693","0.015","90","","476.59","0.14","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 Cl2 N2 O4 -","- C10 H2 Cl2 N2 O4 -","- C20 H4 Cl4 N4 O8 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0365","0.0313","","","0.0813","0.0844","","","","","","1.099","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516812","27.454","0.009","32.678","0.011","6.833","0.003","90","","90","","90","","6130","4","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C288 H256 N32 O48 -","16","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.053","","","","0.1415","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516813","6.2771","0.001","11.7706","0.0018","8.7028","0.0013","90","","97.826","0.005","90","","637.02","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.0482","","","","0.1307","","","","","","1.342","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516814","28.94","0.009","5.9109","0.0015","9.179","0.003","90","","90","","90","","1570.2","0.8","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","0.71075","MoKα","","","0.0353","","","","0.0859","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516815","5.504","0.004","26.45","0.014","11.354","0.006","90","","94.55","0.016","90","","1647.7","1.7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.0949","","","","0.3124","","","","","","1.133","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516829","10.4484","0.0002","12.9132","0.0002","14.4521","0.0003","105.509","0.002","110.788","0.002","101.371","0.002","1661.72","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl3 N O7 -","- C35 H38 Cl3 N O7 -","- C70 H76 Cl6 N2 O14 -","2","1","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","1.5418","CuKα","","0.0709","0.0699","","","0.2765","0.2795","","","","","","2.637","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516830","11.0298","0.0007","12.4731","0.001","15.6946","0.0012","87.5","0.004","72.011","0.004","67.114","0.004","1884.8","0.3","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H82 Ag2 F6 N2 O22 S2 -","- C72 H82 Ag2 F6 N2 O22 S2 -","- C72 H82 Ag2 F6 N2 O22 S2 -","1","0.5","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","0.71073","MoKα","","0.0661","0.042","","","0.0919","0.1109","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516831","17.892","0.005","14.886","0.005","15.952","0.005","90","","110.371","0.005","90","","3983","2","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 B2 Cl2 F8 Fe N6 -","- C44 H32 B2 Cl2 F8 Fe N6 -","- C176 H128 B8 Cl8 F32 Fe4 N24 -","4","1","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","0.71069","MoKα","","0.0569","0.0529","","","0.1298","0.132","","","","","","1.152","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516885","10.84","0.002","14.869","0.003","19.149","0.004","90","","91.19","0.03","90","","3085.8","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","2","2","","- C29 H49 O Si2 U -","- C29 H49 O Si2 U -","- C116 H196 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0423","0.0284","","","0.0602","0.0648","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516886","11.789","0.002","18.961","0.004","14.176","0.003","90","","96.89","0.03","90","","3145.9","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","3","3","","- C30 H51 O Si2 U -","- C30 H51 O Si2 U -","- C120 H204 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0559","0.0363","","","0.0732","0.0796","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516887","12.092","0.002","19.621","0.004","13.755","0.003","90","","96.3","0.03","90","","3243.8","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","4","4","","- C31 H53 O Si2 U -","- C31 H53 O Si2 U -","- C124 H212 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0614","0.0391","","","0.0753","0.0823","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516888","22.913","0.005","13.686","0.003","38.185","0.008","90","","107.06","0.03","90","","11447","5","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","6","6","","- C48 H76.5 O Si4 U2 -","- C48.014 H76.542 O Si4 U2 -","- C384.112 H612.336 O8 Si32 U16 -","8","2","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0913","0.0508","","","0.1166","0.1285","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516889","10.48","0.002","21.616","0.004","23.669","0.005","90","","90","","90","","5361.9","1.8","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","7","7","","- C50 H78 O4 Si4 U2 -","- C50 H78 O4 Si4 U2 -","- C200 H312 O16 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.176","0.0787","","","0.1014","0.1221","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516890","21.741","0.004","23.447","0.005","10.829","0.002","90","","90","","90","","5520.2","1.9","173","2","173","2","","","","","","","synthesis as described","5","C m c a","-C 2ac 2","64","8","8","","- C54 H86 O4 Si4 U2 -","- C54 H86 O4 Si4 U2 -","- C216 H344 O16 Si16 U8 -","4","","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0672","0.0437","","","0.0835","0.0901","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1516891","12.917","0.003","13.555","0.003","16.582","0.003","90","","100.86","0.03","90","","2851.3","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","9","9","","- C27 H43 O2 Si2 U -","- C27 H43 O2 Si2 U -","- C108 H172 O8 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0743","0.0452","","","0.097","0.1103","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516892","23.33","0.005","21.46","0.004","10.71","0.002","90","","90","","90","","5362.1","1.8","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","11","11","","- C53 H86 O3 Si4 U2 -","- C53 H86 O3 Si4 U2 -","- C212 H344 O12 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0789","0.0524","","","0.1214","0.1336","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516893","43.8503","0.0011","10.3313","0.0002","24.2758","0.0006","90","","90","","90","","10997.7","0.4","173","2","173","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","12","12","","- C58 H86 O3 Si4 U2 -","- C53 H85.5 O3 Si4 U2 -","- C424 H684 O24 Si32 U16 -","8","2","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0626","0.0449","","","0.0736","0.0794","","","","","","1.025","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1516894","11.737","0.002","18.983","0.004","25.761","0.005","90","","95.43","0.03","90","","5713.9","1.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","13","","- C55 H90 O3 Si4 U2 -","- C55 H90 O3 Si4 U2 -","- C220 H360 O12 Si16 U8 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0659","0.0443","","","0.1035","0.1142","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516974","24.8949","0.0005","42.564","0.003","32.7857","0.0006","90","","90","","90","","34741","3","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","UMCM-12","","","- C98 H68 N2 O26 Zn8 -","- C98 H68 N2 O26 Zn8 -","- C392 H272 N8 O104 Zn32 -","4","0.5","","Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.","Coordination copolymerization of three carboxylate linkers into a pillared layer framework","Chemical Science","2014","5","10","3729","","10.1039/C3SC53549E","","","1.54178","CuKα","","0.0966","0.0651","","","0.1473","0.1525","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516975","17.1259","0.0004","32.5986","0.0008","25.1806","0.0018","90","","99.471","0.007","90","","13866.2","1.1","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UMCM-10","","","- C43 H30 N O13 Zn4 -","- C43 H30 N O13 Zn4 -","- C172 H120 N4 O52 Zn16 -","4","1","","Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.","Coordination copolymerization of three carboxylate linkers into a pillared layer framework","Chemical Science","2014","5","10","3729","","10.1039/C3SC53549E","","","1.54187","CuKα","","0.1594","0.1097","","","0.3315","0.3829","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516976","13.1254","0.0002","13.0009","0.0002","13.7872","0.0002","90","","109.269","0.002","90","","2220.88","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F3 N3 O6 Re S -","- C21 H13 F3 N3 O6 Re S -","- C84 H52 F12 N12 O24 Re4 S4 -","4","1","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0158","0.0144","","","0.0347","0.0352","","","","","","1.085","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516977","9.4683","0.0001","16.4296","0.0002","26.0868","0.0003","92.497","0.001","92.66","0.001","91.206","0.001","4048.77","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H33 Au F6 N3 O4 P2 Re -","- C41 H33 Au F6 N3 O4 P2 Re -","- C164 H132 Au4 F24 N12 O16 P8 Re4 -","4","2","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0358","0.0272","","","0.0606","0.0641","","","","","","1.037","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516978","8.9054","0.0004","9.077","0.0005","22.963","0.0008","84.156","0.004","88.572","0.003","88.527","0.004","1845.48","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H28 Au F3 N4 O6 P Re S -","- C38 H28 Au F3 N4 O6 P Re S -","- C76 H56 Au2 F6 N8 O12 P2 Re2 S2 -","2","1","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0995","0.0873","","","0.2213","0.228","","","","","","1.142","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516979","13.0494","0.0002","13.4519","0.0002","22.5256","0.0004","95.947","0.001","99.847","0.001","102.157","0.001","3768.28","0.11","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C37 H31 Au F3 N4 O6.5 P Re S -","- C37 H31 Au F3 N4 O6.5 P Re S -","- C148 H124 Au4 F12 N16 O26 P4 Re4 S4 -","4","2","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0261","0.024","","","0.0525","0.0533","","","","","","1.103","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516980","7.16538","0.00016","8.2062","0.00019","11.6136","0.0003","85.818","0.001","88.406","0.001","82.354","0.001","674.9","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","1","","Appel, Wilco P. J.; Nieuwenhuizen, Marko M. L.; Lutz, Martin; de Waal, Bas F. M.; Palmans, Anja R. A.; Meijer, E. W.","Supramolecular chemistry with ureido-benzoic acids","Chemical Science","2014","5","10","3735","","10.1039/C4SC00871E","","","0.71073","MoKα","","0.0485","0.0382","","","0.1005","0.107","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517024","12.292","0.003","9.621","0.0019","28.336","0.006","90","","92.9","0.03","90","","3346.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound4","","","- C37 H48 N Ni O P2 -","- C37 H48 N Ni O P2 -","- C148 H192 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.62998","synchrotron","","0.0637","0.0552","","","0.161","0.1672","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517025","10.6999","0.0005","9.4421","0.0004","11.2283","0.0005","90","","108.935","0.001","90","","1073","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cd N6 O9 -","- C4 H9 Cd N6 O9 -","- C16 H36 Cd4 N24 O36 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0217","0.0204","","","0.0735","0.076","","","","","","0.831","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517026","12.4045","0.0004","9.652","0.0003","27.5625","0.0009","90","","92.722","0.0018","90","","3296.29","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOMe","","","- C34 H49 N Ni O P2 -","- C34 H49 N Ni O P2 -","- C136 H196 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0674","0.0403","","","0.1042","0.1196","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517027","19.2355","0.0009","11.6533","0.0005","14.8149","0.0007","90","","110.899","0.002","90","","3102.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiMe","","","- C31 H51 N Ni O P2 -","- C31 H51 N Ni O P2 -","- C124 H204 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0441","0.0383","","","0.1003","0.1158","","","","","","1.18","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517028","10.5204","0.0008","11.0371","0.0008","12.559","0.001","79.346","0.004","84.731","0.004","71.343","0.004","1357","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(PNP)NiEt","","","- C28 H45 N Ni P2 -","- C28 H45 N Ni P2 -","- C56 H90 N2 Ni2 P4 -","2","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0688","0.0635","","","0.1866","0.1913","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517029","16.6022","0.0004","12.4707","0.0004","16.0966","0.0004","90","","113.6","0.002","90","","3053.92","0.15","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","(PNP)NiCOnPr","","","- C30 H47 N Ni O P2 -","- C30 H47 N Ni O P2 -","- C120 H188 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0934","0.0503","","","0.1116","0.1452","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517030","15.7352","0.0006","9.8832","0.0004","18.2622","0.0007","90","","94.249","0.002","90","","2832.22","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PNP)NinPr","","","- C29 H47 N Ni P2 -","- C29 H47 N Ni P2 -","- C116 H188 N4 Ni4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.073","0.0454","","","0.1179","0.1326","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517031","15.5099","0.0005","9.9868","0.0003","18.6693","0.0005","90","","95.552","0.001","90","","2878.2","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOiPr","","","- C30 H47 N Ni O P2 -","- C30 H47 N Ni O P2 -","- C120 H188 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0487","0.0371","","","0.0956","0.108","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517032","12.11","0.002","13.584","0.003","19.335","0.004","90","","106.49","0.03","90","","3049.8","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOtBu","","","- C31 H49 N Ni O P2 -","- C31 H49 N Ni O P2 -","- C124 H196 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.7","synchrotron","","0.0349","0.0321","","","0.093","0.0949","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517099","18.8584","0.0012","12.3701","0.0008","15.9959","0.0011","90","","104.724","0.004","90","","3609","0.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 S Si2 -","- C40 H50 S Si2 -","- C160 H200 S4 Si8 -","4","0.5","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.0685","0.0532","","","0.1386","0.1511","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517100","7.402","0.006","14.535","0.011","18.955","0.014","73.693","0.015","83.913","0.016","77.68","0.014","1910","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 S2 Si2 -","- C42 H50 S2 Si2 -","- C84 H100 S4 Si4 -","2","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","0.71073","MoKα","","0.1814","0.0719","","","0.1581","0.2103","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517101","7.0732","0.0012","7.9974","0.0014","12.843","0.002","83.771","0.013","88.008","0.013","79.973","0.014","711.1","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H30 S2 -","- C38 H30 S2 -","- C38 H30 S2 -","1","0.5","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1262","0.0811","","","0.2103","0.2501","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517102","24.056","0.001","16.0276","0.001","18.3518","0.0016","90","","122.105","0.004","90","","5993.7","0.7","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 S2 -","- C40 H34 S2 -","- C320 H272 S16 -","8","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1843","0.1245","","","0.3045","0.3754","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517103","7.51","0.0003","14.0747","0.0006","20.3192","0.0009","73.205","0.002","81.761","0.002","82.646","0.002","2026.41","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 S3 Si2 -","- C44 H50 S3 Si2 -","- C88 H100 S6 Si4 -","2","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1142","0.0974","","","0.2475","0.2663","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517165","12.936","0.0018","17.448","0.002","21.111","0.003","90","","90","","90","","4764.9","1.1","15","2","15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 Cl9 N2 O11 -","- C38 H53 Cl9 N2 O11 -","- C152 H212 Cl36 N8 O44 -","4","1","","Kim, Ki Hyun; Ramadhar, Timothy R.; Beemelmanns, Christine; Cao, Shugeng; Poulsen, Michael; Currie, Cameron R.; Clardy, Jon","Natalamycin A, an Ansamycin from a Termite-Associated Streptomyces sp.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4333","4338","10.1039/C4SC01136H","","","0.41328","synchrotron","","0.0649","0.0635","","","0.184","0.1913","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517166","7.9922","0.0006","7.9922","0.0006","23.1283","0.0017","90","","90","","90","","1477.33","0.19","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H16 Fe N4 O3 -","- C13 H16 Fe N4 O3 -","- C52 H64 Fe4 N16 O12 -","4","0.5","","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","","0.0396","0.0287","","","0.0688","0.074","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517167","8.8462","0.0003","17.0403","0.0006","35.7439","0.0012","90","","90.227","0.001","90","","5388.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H36 B2 Fe N2 O3 Si4 -","- C15 H36 B2 Fe N2 O3 Si4 -","- C120 H288 B16 Fe8 N16 O24 Si32 -","8","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0521","0.038","","","0.0807","0.0852","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517168","9.0504","0.0017","10.731","0.002","11.634","0.004","90","","92.431","0.015","90","","1128.9","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 Cl3 Fe Ga O5 -","- C5 Cl3 Fe Ga O5 -","- C20 Cl12 Fe4 Ga4 O20 -","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","0.0131","","","0.0273","0.0275","","","","","","0.938","","","","has coordinates","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",""
"1517170","7.2763","0.0003","22.2271","0.0009","9.6226","0.0004","90","","90.532","0.001","90","","1556.21","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl3 Fe Ga N O4 -","- C9 H9 Cl3 Fe Ga N O4 -","- C36 H36 Cl12 Fe4 Ga4 N4 O16 -","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","","0.0227","0.0195","","","0.0461","0.0472","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517171","17.867","0.0016","13.5823","0.0012","15.9356","0.0014","90","","109.018","0.003","90","","3656.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl3 Fe Ga O3 P2 -","- C9 H18 Cl3 Fe Ga O3 P2 -","- C72 H144 Cl24 Fe8 Ga8 O24 P16 -","8","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0521","0.0366","","","0.0873","0.0954","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517172","8.6242","0.0005","14.4623","0.0008","17.4482","0.001","90","","98.852","0.002","90","","2150.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl5 Fe Ga N4 O3 -","- C14 H18 Cl5 Fe Ga N4 O3 -","- C56 H72 Cl20 Fe4 Ga4 N16 O12 -","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","","0.0332","0.0254","","","0.0577","0.061","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517173","11.826","0.0008","18.0027","0.0012","9.6374","0.0006","90","","90","","90","","2051.8","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 Cl3 Fe Ga N2 O3 -","- C13 H18 Cl3 Fe Ga N2 O3 -","- C52 H72 Cl12 Fe4 Ga4 N8 O12 -","4","0.5","","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","","0.0285","0.0204","","","0.0437","0.0473","","","","","","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",""
"1517175","17.8212","0.0017","16.529","0.0017","26.155","0.003","90","","90","","90","","7704.4","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Br3 Fe Ga O3 P2 -","- C9 H18 Br3 Fe Ga O3 P2 -","- C144 H288 Br48 Fe16 Ga16 O48 P32 -","16","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0675","0.0385","","","0.085","0.0993","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517188","20.5225","0.0008","39.0486","0.0005","39.0923","0.0004","119.844","0.001","91.894","0.002","102.976","0.002","26087.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C314 H589 N96 Ni32 O224 S11 -","- C314 N96 Ni32 O224 S11 -","- C628 N192 Ni64 O448 S22 -","2","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.2198","0.1773","","","0.4747","0.5025","","","","","","1.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517189","11.376","0.004","20.675","0.008","17.957","0.007","90","","99.139","0.007","90","","4170","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl2 N12 Ni O10 -","- C37 H33 Cl2 N12 Ni O10 -","- C148 H132 Cl8 N48 Ni4 O40 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","0.71073","MoKα","","0.0957","0.0799","","","0.2099","0.2215","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517190","44.0087","0.0006","20.5888","0.0003","26.8381","0.0003","90","","119.998","0.001","90","","21060.1","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C145 H234 N48 Ni16 O96 S8 -","- C145 H136 N48 Ni16 O96 S8 -","- C580 H544 N192 Ni64 O384 S32 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.054","0.0506","","","0.1358","0.1405","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517191","20.5591","0.0001","35.0164","0.0002","39.44","0.0002","90","","91.301","0.001","90","","28385.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C161 H363 N48 Ni16 O146 S8 -","- C161 H141 N48 Ni16 O146 S8 -","- C644 H564 N192 Ni64 O584 S32 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.0794","0.0674","","","0.1949","0.2074","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517192","31.2","0.0003","31.2","0.0003","25.3435","0.0004","90","","90","","90","","24670.4","0.5","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C158 H190 N48 Ni16 O60 S7 -","- C158 H134 N48 Ni16 O60 S7 -","- C632 H536 N192 Ni64 O240 S28 -","4","0.5","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54178","CuKα","","0.1485","0.1149","","","0.3125","0.3425","","","","","","1.172","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517194","8.2349","0.0003","12.5658","0.0004","12.99","0.0005","90","","90","","90","","1344.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0347","0.0325","","","0.082","0.0836","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517195","6.3154","0.0005","8.1371","0.0007","14.3362","0.0012","85.222","0.003","78.52","0.003","70.043","0.003","678.53","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C32 H24 Br2 N2 O2 -","2","2","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0675","0.0552","","","0.1339","0.1434","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517206","19.3677","0.0007","4.6908","0.0002","11.3487","0.0004","90","","95.521","0.002","90","","1026.25","0.07","100","2","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Liu, Kun; Hovey, M. Todd; Scheidt, Karl A.","A Cooperative N-Heterocyclic Carbene/Palladium Catalysis System.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","10","4026","4031","10.1039/C4SC01536C","","","1.54178","CuKα","","0.0296","0.0267","","","0.0644","0.066","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517207","10.871","0.0009","20.7504","0.0019","21.3627","0.0015","64.984","0.002","86.763","0.004","79.326","0.003","4290","0.6","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H87 Co4 N17 O20 -","- C80 H80 Co4 N17 O20 -","- C160 H160 Co8 N34 O40 -","2","1","","Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J.","Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation","Chemical Science","2014","5","10","4017","","10.1039/C4SC01636J","","","0.71073","MoKα","","0.1547","0.1024","","","0.2499","0.282","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517208","10.1905","0.0013","21.156","0.003","22.015","0.003","115.123","0.004","92.484","0.005","99.306","0.005","4207.2","1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H97 Co4 N17 O29 -","- C80 H80 Co4 N17 O29 -","- C160 H160 Co8 N34 O58 -","2","1","","Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J.","Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation","Chemical Science","2014","5","10","4017","","10.1039/C4SC01636J","","","0.71073","MoKα","","0.1525","0.1007","","","0.2604","0.296","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517209","12.1107","0.0003","19.736","0.0008","20.335","0.0008","90","","90","","90","","4860.4","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 F6 N4 O4 Zn2 -","- C48 H54 F6 N4 O4 Zn2 -","- C192 H216 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0734","0.0434","","","0.0788","0.0909","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517210","10.3348","0.0008","10.8803","0.0008","13.2532","0.0011","113.176","0.003","96.805","0.004","91.083","0.003","1356.84","0.19","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","1","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0298","0.0254","","","0.0562","0.0573","","","","","","1.019","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1517211","11.8212","0.0009","10.6057","0.0008","18.6077","0.0017","90","","97.779","0.004","90","","2311.4","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H50 F6 N4 O4 Zn2 -","- C46 H50 F6 N4 O4 Zn2 -","- C92 H100 F12 N8 O8 Zn4 -","2","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0733","0.0438","","","0.0738","0.0841","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517212","13.5462","0.0005","19.2935","0.0007","20.7468","0.0007","90","","90","","90","","5422.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H60 F6 N4 O4 Zn2 -","- C58 H60 F6 N4 O4 Zn2 -","- C232 H240 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0319","0.0271","","","0.0639","0.066","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517220","9.4416","0.0009","9.5014","0.0009","9.8153","0.0009","107.922","0.002","91.314","0.002","92.35","0.002","836.5","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H12 Mn0.5 N O14 P3 Zn3 -","- C6 Mn0.5 N O14 P3 Zn3 -","- C12 Mn N2 O28 P6 Zn6 -","2","1","","Wu, Junbiao; Tao, Chunyao; Li, Yi; Yan, Yan; Li, Jiyang; Yu, Jihong","Methylviologen-templated layered bimetal phosphate: a multifunctional X-ray-induced photochromic material","Chem. Sci.","2014","5","11","4237","","10.1039/C4SC01396D","","","0.71073","MoKα","","0.0556","0.0434","","","0.1129","0.1207","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517239","12.8251","0.0019","17.633","0.003","13.342","0.002","90","","93.491","0.003","90","","3011.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 O6 -","- C40 H30 O6 -","- C160 H120 O24 -","4","1","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0549","0.0452","","","0.1263","0.1361","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517240","6.6014","0.0004","17.3786","0.0011","13.6759","0.0009","90","","97.042","0.001","90","","1557.11","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O6 -","- C40 H42 O6 -","- C80 H84 O12 -","2","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0579","0.0423","","","0.1101","0.1197","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517241","6.816","0.002","7.448","0.003","16.417","0.006","79.881","0.007","81.961","0.007","75.475","0.007","790.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","1","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0908","0.0751","","","0.2009","0.218","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517242","6.9613","0.0005","7.1312","0.0005","17.3912","0.0013","91.674","0.001","90.029","0.001","106.619","0.001","826.89","0.1","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","1","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0601","0.05","","","0.1353","0.1437","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517243","6.887","0.0007","31.518","0.003","7.1384","0.0007","90","","107.654","0.0019","90","","1476.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H16 F10 O4 -","- C38 H16 F10 O4 -","- C76 H32 F20 O8 -","2","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0458","0.0432","","","0.1","0.1014","","","","","","1.199","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517244","8.2523","0.0006","12.5862","0.001","15.285","0.0012","73.904","0.0017","86.299","0.0018","83.541","0.0018","1514.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F10 O6 -","- C38 H16 F10 O6 -","- C76 H32 F20 O12 -","2","1","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0549","0.0386","","","0.0933","0.1013","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517255","10.4643","0.0004","12.9834","0.0005","27.5941","0.001","90","","100.005","0.001","90","","3692","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Cl5 N7 O3 P Ru -","- C29 H39 Cl5 N7 O3 P Ru -","- C116 H156 Cl20 N28 O12 P4 Ru4 -","4","1","","Burgess, Samantha A.; Joslin, Evan E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","Hydrophenylation of ethylene using a cationic Ru(ii) catalyst: comparison to a neutral Ru(ii) catalyst","Chem. Sci.","2014","5","11","4355","","10.1039/C4SC01665C","","","0.71073","MoKα","","0.0468","0.0449","","","0.1409","0.1428","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517285","5.5066","0.0001","14.1867","0.0002","20.951","0.0004","90","","90","","90","","1636.7","0.05","193","2","193","2","","","","","","","Schomaker Lab No. SCS2037","4","P 21 21 21","P 2ac 2ab","19","","4-methoxy-2-(1-(naphthalen-2-ylsulfonyl)ethyl)phenol","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C76 H72 O16 S4 -","4","1","","Van Hoveln, R. J.; Schmid, S. C.; Tretbar, M.; Buttke, C. T.; Schomaker, J. M.","Formal asymmetric hydrobromination of styrenes via copper-catalyzed 1,3-halogen migration","Chem. Sci.","2014","5","12","4763","","10.1039/C4SC02040E","","x-ray","1.54184","CuKα","K-L~3~","0.0282","0.0279","","","0.0755","0.0757","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517286","8.5289","0.0005","10.9789","0.0007","11.4493","0.0007","87.759","0.005","72.017","0.005","78.159","0.005","997.68","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O5 S2 -","- C19 H26 O5 S2 -","- C38 H52 O10 S4 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.081","0.0429","","","0.072","0.0768","","","","","","0.802","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517287","16.8843","0.0016","7.6695","0.0004","16.974","0.002","90","","115.956","0.015","90","","1976.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl4 S2 -","- C18 H18 Cl4 S2 -","- C72 H72 Cl16 S8 -","4","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.0591","0.0429","","","0.0924","0.1012","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517288","9.8541","0.0006","11.4575","0.0008","15.9521","0.0013","93.504","0.006","98.701","0.006","114.179","0.007","1608.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H29 Cu2 F6 N4 O7 S3 -","- C25 H29 Cu2 F6 N4 O7 S3 -","- C50 H58 Cu4 F12 N8 O14 S6 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.0503","0.0356","","","0.0783","0.0849","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517289","9.6497","0.0005","10.7181","0.0005","16.889","0.0008","73.733","0.004","86.706","0.004","69.619","0.004","1570.31","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 Cu2 F6 N4 O7 S3 -","- C25 H28 Cu2 F6 N4 O7 S3 -","- C50 H56 Cu4 F12 N8 O14 S6 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.1164","0.058","","","0.0952","0.1123","","","","","","0.993","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517290","8.38","0.0004","20.9662","0.0009","13.0999","0.0006","90","","95.038","0.003","90","","2292.72","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Zn(DMF))2(TTFTC)(DPNI)","","","- C43 H26 N7 O15 S4 Zn2 -","- C43 H26 N7 O15 S4 Zn2 -","- C86 H52 N14 O30 S8 Zn4 -","2","0.5","","Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M.","Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation","Chem. Sci.","2014","5","12","4724","","10.1039/C4SC01551G","","","0.71073","MoKα","","0.1548","0.0937","","","0.238","0.2816","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517296","11.2987","0.0007","14.6667","0.0009","8.2144","0.0005","90","","90","","90","","1361.25","0.14","123","2","123","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C28 H30 N4 O6 Zn -","- C28 H30 N4 O6 Zn -","- C56 H60 N8 O12 Zn2 -","2","0.5","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.0588","0.0559","","","0.1237","0.1253","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517297","22.694","0.002","29.694","0.003","33.408","0.003","90","","90","","90","","22513","4","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C50 H54 N8 O11 Zn2 -","- C50 H54 N8 O11 Zn2 -","- C800 H864 N128 O176 Zn32 -","16","1","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.1414","0.0825","","","0.1963","0.2396","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517298","15.2355","0.0008","15.2355","0.0008","39.1054","0.0019","90","","90","","90","","9077.2","0.8","123","2","123","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C384 H352 N64 O64 Zn16 -","16","0.5","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.0486","0.0382","","","0.1055","0.1135","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517350","7.8669","0.0013","10.4681","0.0018","17.696","0.003","90","","90","","90","","1457.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C48 H72 N8 O24 -","4","1","","Jia, Xiangxiang; Li, Yan; Xiao, Longqiang; Liu, Lijian","Synthesis and characterization of fluorescent oligo(3,4,5-triethoxycarbonyl-2-pyrazoline)","Polymer Chemistry","2014","5","16","4781","","10.1039/C4PY00315B","","","0.71073","MoKα","","0.0574","0.0498","","","0.1358","0.1435","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517355","18.239","0.003","3.8855","0.0007","25.404","0.004","90","","91.023","0.009","90","","1800","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C104 H64 S8 -","4","1","","Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J.","Conjugated oligomers incorporating azulene building blocks – seven- vs. five-membered ring connectivity","Chem. Sci.","2014","5","11","4483","","10.1039/C4SC02210F","","","0.71073","MoKα","","0.1193","0.0697","","","0.1468","0.162","","","","","","1.246","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517356","10.961","0.0012","23.617","0.003","14.6288","0.0016","90","","97.762","0.002","90","","3752.2","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 S2 -","- C26 H15.5 S2 -","- C208 H124 S16 -","8","2","","Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J.","Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity","Chem. Sci.","2014","5","11","4483","","10.1039/C4SC02210F","","","0.71073","MoKα","","0.0667","0.0436","","","0.1084","0.1179","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517357","8.4484","0.0019","6.0156","0.0013","16.494","0.004","90","","104.755","0.003","90","","810.6","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O3 -","- C18 H17 Br O3 -","- C36 H34 Br2 O6 -","2","1","","Abascal, Nadia C.; Lichtor, Phillip A.; Giuliano, Michael W.; Miller, Scott J.","Function-Oriented Investigations of a Peptide-Based Catalyst that Mediates Enantioselective Allylic Alcohol Epoxidation.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4504","4511","10.1039/C4SC01440E","","","0.71073","MoKα","","0.0281","0.025","","","0.0583","0.0599","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:51",""
"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","301776","2025-08-18","14:47:51",""
"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",""
"1517360","10.1892","0.0003","19.1512","0.0007","22.8693","0.0009","73.339","0.002","83.858","0.002","89.798","0.002","4249","0.3","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","[(P2N2)Mn(CO)(dppm)][BArF]","","- C88.72 H66 B Cl1.44 F24 Mn N2 O P4 -","- C88.72 H66 B Cl1.44 F24 Mn N2 O P4 -","- C177.44 H132 B2 Cl2.88 F48 Mn2 N4 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0887","0.0651","","","0.1405","0.1495","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517361","13.0764","0.0005","16.0035","0.0006","17.7414","0.0006","102.567","0.002","93.99","0.002","113.051","0.002","3284.5","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","(Ph,Me-PNP)Mn(Br)(CO)(bppm)","","- C68 H49 Br F24 Mn N O P4 -","- C68 H49 Br F24 Mn N O P4 -","- C136 H98 Br2 F48 Mn2 N2 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0407","0.0306","","","0.0735","0.0776","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517362","13.4167","0.0003","33.2709","0.0008","14.2193","0.0003","90","","106.658","0.001","90","","6080.9","0.2","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Ph,Me-PNP)MnH(CO)(bppm)","","- C61 H42 F24 Mn N O P4 -","- C61 H42 F24 Mn N O P4 -","- C244 H168 F96 Mn4 N4 O4 P16 -","4","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0735","0.044","","","0.0987","0.1104","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517363","22.5699","0.0012","8.5815","0.0005","10.3862","0.0006","90","","90","","90","","2011.6","0.2","100","","100","","","","","","","","","8","P m n 21","P 2ac -2","31","","(Ph/Me-PNP)Mn(OTf)(CO)3","","- C43 H37 F5 Mn N O6 P2 S -","- C43 H37 F5 Mn N O6 P2 S -","- C86 H74 F10 Mn2 N2 O12 P4 S2 -","2","0.5","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","x-ray","0.71073","MoKα","K-L~3~","0.0267","0.025","","","0.0634","0.0643","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517364","13.826","0.0005","14.0301","0.0005","14.8023","0.0005","108.714","0.001","109.969","0.001","96.491","0.001","2474.82","0.15","150","","150","","","","","","","","","8","P 1","P 1","1","","[(Ph,Me-PNP)Mn(CO(bppm)][B(C6F5)4]","","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","1","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0491","0.042","","","0.1123","0.1174","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517365","20.4905","0.0012","14.9413","0.0013","30.717","0.002","90","","107.769","0.003","90","","8955.5","1.1","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[(Ph,Me-PNP)Mn(CO)2(bppm)][B(C6F5)4]","","- C92 H46 B Br F44 Mn N O2 P4 -","- C92 H46 B Br F44 Mn N O2 P4 -","- C368 H184 B4 Br4 F176 Mn4 N4 O8 P16 -","4","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.1249","0.0594","","","0.127","0.1531","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517366","14.3935","0.0009","15.8738","0.0014","23.3799","0.0017","73.676","0.003","72.993","0.003","82.991","0.004","4897.7","0.6","140","","140","","","","","","","","","9","P -1","-P 1","2","","","","- C100 H55.5 B Br2.5 F44 Mn N O P4 -","- C100 H55.5 B Br2.5 F44 Mn N O P4 -","- C200 H111 B2 Br5 F88 Mn2 N2 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0917","0.0641","","","0.1754","0.1934","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517367","13.6043","0.0018","29.34","0.004","11.7173","0.0015","90","","101.006","0.003","90","","4590.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cl6 N2 -","- C46 H58 Cl6 N2 -","- C184 H232 Cl24 N8 -","4","1","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.0632","0.0489","","","0.121","0.1279","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517368","18.183","0.005","17.083","0.005","10.329","0.003","90","","97.513","0.005","90","","3180.9","1.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N2 -","- C42 H48 N2 -","- C168 H192 N8 -","4","0.5","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.0676","0.0488","","","0.1163","0.126","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517369","25.799","0.006","18.171","0.004","11.441","0.003","90","","103.053","0.004","90","","5225","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 N2 -","- C66 H76 N2 -","- C264 H304 N8 -","4","0.5","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.1196","0.0839","","","0.2355","0.2628","","","","","","1.048","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517370","17.4188","0.0006","17.5604","0.0006","22.7255","0.0004","87.6505","0.001","71.9113","0.0012","60.5328","0.0007","5700.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","hexylTIDS2Pd3PPh34","hexylTIDS2Pd3PPh34","","- C127 H108 Cl6 N2 O4 P4 Pd3 S4 -","- C127 H108 Cl6 N2 O4 P4 Pd3 S4 -","- C254 H216 Cl12 N4 O8 P8 Pd6 S8 -","2","1","","Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka","Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands","Chem. Sci.","2014","5","12","4888","","10.1039/C4SC02018A","","","1.54187","CuKα","","0.0705","0.0663","","","0.2286","0.2344","","","","","","1.578","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517371","13.8975","0.0003","16.8234","0.0003","17.2132","0.0004","99.9912","0.0011","112.238","0.0011","111.275","0.001","3238.06","0.13","123","2","123","2","","","","","","","","8","P -1","-P 1","2","Pd-monoTIDS","Pd_TIDS_PPh3_2","","- C64 H51 Cl4 N O2 P2 Pd S2 -","- C64 H51 Cl4 N O2 P2 Pd S2 -","- C128 H102 Cl8 N2 O4 P4 Pd2 S4 -","2","1","","Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka","Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands","Chem. Sci.","2014","5","12","4888","","10.1039/C4SC02018A","","","1.54187","CuKα","","0.1824","0.1559","","","0.3862","0.4098","","","","","","1.76","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517422","16.6894","0.0003","13.1912","0.0002","17.1396","0.0003","90","","107.752","0.001","90","","3593.67","0.11","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N7 -","- C19 H27 N7 -","- C152 H216 N56 -","8","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0817","0.0727","","","0.1959","0.2055","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517423","40.9186","0.0005","12.999","0.0002","19.2466","0.0002","90","","116.184","0.001","90","","9186.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 F12 N10 O6 P2 Ru -","- C40 H42 F12 N10 P2 Ru -","- C320 H336 F96 N80 P16 Ru8 -","8","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0472","0.0468","","","0.1295","0.1299","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517424","8.5139","0.0002","13.5117","0.0004","21.1951","0.0006","96.631","0.001","94.882","0.001","106.466","0.001","2304.75","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H50 F12 N10 O P2 Ru -","- C44 H50 F12 N10 O P2 Ru -","- C88 H100 F24 N20 O2 P4 Ru2 -","2","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0347","0.0345","","","0.0946","0.095","","","","","","1.039","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517425","8.5505","0.0003","44.204","0.0014","12.3222","0.0004","90","","96.705","0.002","90","","4625.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Br F12 N12 O P2 Ru -","- C41 H45 Br F12 N12 O P2 Ru -","- C164 H180 Br4 F48 N48 O4 P8 Ru4 -","4","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0564","0.0457","","","0.1142","0.1239","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517426","9.6046","0.0004","32.8531","0.0014","17.3497","0.0008","90","","94.903","0.002","90","","5454.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 F12 N12 O9 P2 Ru -","- C42 H48 F12 N12 P2 Ru -","- C168 H192 F48 N48 P8 Ru4 -","4","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0407","0.0402","","","0.1124","0.1129","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517442","12.4607","0.0005","12.792","0.0005","14.1587","0.0006","67.97","0.001","85.66","0.001","68.671","0.001","1943.96","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H85 Cl3 N4 O2 Pt2 -","- C99 H85 Cl3 N4 O2 Pt2 -","- C99 H85 Cl3 N4 O2 Pt2 -","1","0.5","","Cheng, Gang; Kui, Steven C. F.; Ang, Wai-Hung; Ko, Man-Ying; Chow, Pui-Keong; Kwong, Chun-Lam; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Low, Kam-Hung; Su, Shi-Jian; Che, Chi-Ming","Structurally robust phosphorescent [Pt(O^N^C^N)] emitters for high performance organic light-emitting devices with power efficiency up to 126 lm W−1and external quantum efficiency over 20%","Chem. Sci.","2014","5","12","4819","","10.1039/C4SC01105H","","","1.54178","CuKα","","0.0444","0.0439","","","0.1155","0.1182","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517443","16.083","0.005","17.739","0.005","18.562","0.005","115.198","0.005","105.294","0.005","103.514","0.005","4243","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H120 B Dy2 N6 O3 -","- C100 H120 B Dy2 N6 O3 -","- C200 H240 B2 Dy4 N12 O6 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71069","MoKα","","0.0389","0.0303","","","0.0688","0.0726","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517444","16.095","0.0007","17.7564","0.0009","18.5863","0.0009","115.256","0.002","105.236","0.002","103.493","0.002","4256.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H120 B N6 O3 Tb2 -","- C100 H120 B N6 O3 Tb2 -","- C200 H240 B2 N12 O6 Tb4 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71073","MoKα","","0.0361","0.0327","","","0.0727","0.0738","","","","","","1.221","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517445","16.4717","0.0006","17.8945","0.0007","18.2112","0.0007","115.277","0.002","98.616","0.002","102.884","0.002","4545.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H128 B Gd2 N6 O4 -","- C104 H128 B Gd2 N6 O4 -","- C208 H256 B2 Gd4 N12 O8 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71073","MoKα","","0.0757","0.0423","","","0.0745","0.085","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517446","22.168","0.003","25.23","0.003","20.706","0.002","90","","111.311","0.002","90","","10789","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C110 H160 Dy2 K N8 O13 -","- C110 H160 Dy2 K N8 O13 -","- C440 H640 Dy8 K4 N32 O52 -","4","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.7749","synchrotron","","0.0753","0.0511","","","0.119","0.1351","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517458","8.9943","0.0002","12.2511","0.0002","22.3616","0.0016","90","","90","","90","","2464.03","0.19","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O -","- C32 H32 N2 O -","- C128 H128 N8 O4 -","4","1","","Hopkins, B. A.; Wolfe, J. P.","Enantioselective Synthesis of Tetrahydroquinolines, Tetrahydroquinoxalines, and Tetrahydroisoquinolines via Pd-Catalyzed Alkene Carboamination Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","12","4840","4844","10.1039/C4SC01327A","","","1.54178","CuKα","","0.025","0.0248","","","0.0653","0.0654","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517465","26.0349","0.0005","26.0349","","6.85076","0.00018","90","","90","","120","","4021.44","0.13","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.35 H Fe O3.7 -","- C4.35 H Fe O3.7 -","- C78.3 H18 Fe18 O66.6 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.06385","","1.78","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517466","25.8977","0.0009","25.8977","","6.846","0.0004","90","","90","","120","","3976.4","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H Co O4.25 -","- C4.624 H Co O4.248 -","- C83.232 H18 Co18 O76.464 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.06669","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517467","25.8582","0.0007","25.8582","","6.26149","0.0002","90","","90","","120","","3625.81","0.15","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.34 H Cu O3.68 -","- C4.33933 H Cu O3.67867 -","- C78.108 H18 Cu18 O66.216 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.02721","","1.13","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517468","26.3262","0.0016","26.3262","","7.044","0.0005","90","","90","","120","","4227.9","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.54 H Mn O4.07 -","- C4.535 H Mn O4.07 -","- C81.63 H18 Mn18 O73.26 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05388","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517469","25.914","0.0017","25.914","","6.7986","0.0006","90","","90","","120","","3953.8","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.53 H O4.07 Zn -","- C4.535 H O4.07 Zn -","- C81.63 H18 O73.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0431","","1.04","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517470","25.9067","0.0009","25.9067","","6.8548","0.0005","90","","90","","120","","3984.3","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Co O3 -","- C4 H Co O3 -","- C72 H18 Co18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.11323","","1.01","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517471","25.8733","0.0007","25.8733","","6.25768","0.0002","90","","90","","120","","3627.84","0.15","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Cu O3 -","- C4 H Cu O3 -","- C72 H18 Cu18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.03035","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517472","26.0983","0.0004","26.0983","","6.85119","0.00014","90","","90","","120","","4041.3","0.1","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4406","neutron","","","","","","","","0.0619","","1.68","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517473","26.3331","0.0017","26.3331","","7.0477","0.0005","90","","90","","120","","4232.4","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Mn O3 -","- C4 H Mn O3 -","- C72 H18 Mn18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.04952","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517474","25.9292","0.0024","25.9292","","6.7962","0.0009","90","","90","","120","","3957.1","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H O3 Zn -","- C4 H O3 Zn -","- C72 H18 O54 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0452","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517475","25.8728","0.0008","25.8728","","6.87004","0.0003","90","","90","","120","","3982.7","0.2","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.82 H Mg O4.65 -","- C4.825 H Mg O4.65 -","- C86.85 H18 Mg18 O83.7 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.03757","","1.14","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517476","26.001","0.0005","26.001","","6.86071","0.0002","90","","90","","120","","4016.8","0.14","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.26 H Fe O5.53 -","- C5.263 H Fe O5.526 -","- C94.734 H18 Fe18 O99.468 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.08444","","1.36","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517477","25.8735","0.0012","25.8735","","6.8486","0.0004","90","","90","","120","","3970.5","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.5 H Co O6.01 -","- C5.503 H Co O6.006 -","- C99.054 H18 Co18 O108.108 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.09834","","0.99","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517478","25.8504","0.002","25.8504","","6.8072","0.0008","90","","90","","120","","3939.4","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.29 H O5.57 Zn -","- C5.285 H O5.57 Zn -","- C95.13 H18 O100.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05515","","1.12","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517479","25.89776","0.00033","25.89776","","6.27846","0.0001","90","","90","","120","","3646.77","0.07","150","","150","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5.14 Cu O5.27 -","- C5.13517 Cu O5.27033 -","- C92.433 Cu18 O94.866 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","x-ray","0.72959","","","","","","","","","0.05804","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517480","25.994","0.007","25.994","0.007","6.8127","0.0018","90","","90","","120","","3986.5","1.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10.94 H2 Co2 O11.88 -","- C10.94 H2 Co2 O11.88 -","- C98.46 H18 Co18 O106.92 -","9","0.5","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","","","0.7749","synchrotron","","0.1284","0.0977","","","0.2437","0.2628","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1517481","26.0818","0.0013","26.0818","","6.8783","0.0006","90","","90","","120","","4052.2","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.77 H Fe O4.54 -","- C4.769 H Fe O4.538 -","- C85.842 H18 Fe18 O81.684 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.7948","neutron","","","","","","","","0.08379","","1.56","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517482","25.887","0.0016","25.887","","6.821","0.0006","90","","90","","120","","3958.6","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H O4.25 Zn -","- C4.623 H O4.246 Zn -","- C83.214 H18 O76.428 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05421","","1.08","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517491","12.6187","0.0002","15.3717","0.0003","15.8322","0.0003","90","","90","","90","","3070.99","0.1","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H27 N5 O2 -","- C13 H27 N5 O2 -","- C104 H216 N40 O16 -","8","1","","Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.","Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization","Polym. Chem.","2014","5","23","6678","","10.1039/C4PY01002G","","","0.71073","MoKα","","0.0545","0.043","","","0.1341","0.1382","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517492","8.1256","0.0012","8.735","0.0011","11.1764","0.0016","101.997","0.012","106.888","0.013","90.243","0.011","740.71","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 N4 O2 -","- C15 H26 N4 O2 -","- C30 H52 N8 O4 -","2","1","","Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.","Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization","Polym. Chem.","2014","5","23","6678","","10.1039/C4PY01002G","","","1.54184","CuKα","","0.0705","0.0519","","","0.1337","0.1447","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517493","5.6521","0.0001","23.6399","0.0004","11.7535","0.0002","90","","92.736","0.002","90","","1568.65","0.05","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Bao, Hongli; Bayeh, Liela; Tambar, Uttam K.","Regioselective and Diastereoselective Aminoarylation of 1,3-Dienes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","12","4863","4867","10.1039/C4SC01152J","","","1.54184","CuKα","","0.0572","0.0526","","","0.1409","0.1469","","","","","","1.011","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517494","13.8166","0.0007","21.7847","0.0012","20.1414","0.0011","90","","103.312","0.001","90","","5899.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H40 N4.5 O13.75 Zn2 -","- C47.5 H40 N4.5 O13.75 Zn2 -","- C190 H160 N18 O55 Zn8 -","4","1","","Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing","Effective sensing of RDX via instant and selective detection of ketone vapors","Chem. Sci.","2014","5","12","4873","","10.1039/C4SC02157F","","","0.71073","MoKα","","0.1238","0.0822","","","0.2006","0.2197","","","","","","1.017","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517495","33.559","0.007","22.171","0.004","19.706","0.004","90","","124.022","0.003","90","","12152","4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N2 O8 Zn2 -","- C40 H24 N2 O8 Zn2 -","- C320 H192 N16 O64 Zn16 -","8","1","","Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing","Effective sensing of RDX via instant and selective detection of ketone vapors","Chem. Sci.","2014","5","12","4873","","10.1039/C4SC02157F","","","0.71073","MoKα","","0.096","0.0693","","","0.2322","0.2565","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517745","7.6281","0.0005","29.8493","0.0019","8.037","0.0005","90","","95.421","0.004","90","","1821.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 P -","- C24 H21 P -","- C96 H84 P4 -","4","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71073","MoKα","","0.0622","0.0557","","","0.1347","0.1373","","","","","","1.198","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517746","12.054","0.005","9.298","0.005","18.724","0.005","90","0.005","99.348","0.005","90","0.005","2070.7","1.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 P -","- C26 H23 P -","- C104 H92 P4 -","4","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71069","MoKα","","0.0587","0.0412","","","0.0952","0.1043","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517747","19.514","0.002","13.301","0.0014","20.028","0.002","90","","119.519","0.001","90","","4523.6","0.8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 P -","- C30 H25 P -","- C240 H200 P8 -","8","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71069","MoKα","","0.0673","0.0488","","","0.1219","0.1372","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517779","9.059","0.0012","11.3961","0.0016","15.78","0.002","68.8889","0.0016","79.0989","0.0017","67.1611","0.0016","1398.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 O4 S4 -","- C34 H20 O4 S4 -","- C68 H40 O8 S8 -","2","1","","Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi","Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework","Chem. Sci.","2014","5","12","4693","","10.1039/C4SC02593H","","","0.7749","synchrotron","","0.064","0.0554","","","0.1761","0.1875","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517780","15.9142","0.0007","7.9235","0.0004","20.8037","0.001","90","","106.326","0.003","90","","2517.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H48 N4 S4 -","- C65 H48 N4 S4 -","- C130 H96 N8 S8 -","2","1","","Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi","Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework","Chem. Sci.","2014","5","12","4693","","10.1039/C4SC02593H","","","0.7749","synchrotron","","0.078","0.0557","","","0.1379","0.1511","","","","","","1.017","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517812","10.4178","0.0012","12.0725","0.0014","13.2955","0.0016","90.683","0.002","110.55","0.002","96.916","0.002","1551.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl Co N4 O7 -","- C33 H30 Cl Co N4 O7 -","- C66 H60 Cl2 Co2 N8 O14 -","2","1","","Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang","Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts","Catal. Sci. Technol.","2015","5","1","562","","10.1039/C4CY01064G","","","0.71073","MoKα","","0.0708","0.0512","","","0.1486","0.17","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517813","12.326","0.0015","12.7391","0.0015","13.0205","0.0016","62.534","0.002","82.794","0.002","79.008","0.002","1779.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H33 Br Cl Co N4 O7 -","- C35 H33 Br Cl Co N4 O7 -","- C70 H66 Br2 Cl2 Co2 N8 O14 -","2","1","","Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang","Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts","Catal. Sci. Technol.","2015","5","1","562","","10.1039/C4CY01064G","","","0.71073","MoKα","","0.0923","0.0553","","","0.1547","0.1834","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518337","19.0059","0.0005","21.9914","0.0005","22.092","0.0007","114.003","0.001","107.666","0.001","99.412","0.002","7588","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H60 B Cl3 F24 Ir2 N2 -","- C75 H60 B Cl3 F24 Ir2 N2 -","- C300 H240 B4 Cl12 F96 Ir8 N8 -","4","2","","Corre, Y.; Iali, W.; Hamdaoui, M.; Trivelli, X.; Djukic, J.-P.; Agbossou-Niedercorn, F.; Michon, C.","Efficient hydrosilylation of imines using catalysts based on iridium(iii) metallacycles","Catal. Sci. Technol.","2015","5","3","1452","","10.1039/C4CY01233J","","","0.71073","MoKα","","0.1925","0.0985","","","0.2244","0.2624","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518357","9.952","0.002","15.043","0.004","11.1","0.003","90","","90.067","0.009","90","","1661.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Labed, I.; Labed, A.; Sun, Y.; Jiang, F.; Achard, M.; Dérien, S.; Kabouche, Z.; Bruneau, C.","[Cp*Ru]-catalyzed selective coupling/hydrogenation","Catal. Sci. Technol.","2015","5","3","1650","","10.1039/C4CY01303D","","x-ray","0.71073","MoKα","","0.0732","0.0519","","","0.1165","0.1246","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518406","11.4796","0.0004","15.5902","0.0006","15.8639","0.0006","98.551","0.002","106.145","0.002","104.953","0.002","2559.42","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 P2 -","- C28 H36 N2 P2 -","- C112 H144 N8 P8 -","4","2","","Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene","Catal. Sci. Technol.","2015","5","3","1678","","10.1039/C4CY01441C","","","0.71073","MoKα","","0.0755","0.0427","","","0.091","0.1039","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518538","7.2528","0.0004","12.6837","0.0006","14.9215","0.0008","106.95","0.002","99.766","0.002","99.208","0.003","1261.66","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 Cl3 Fe N5 O3 -","- C19 H33 Cl3 Fe N5 O3 -","- C38 H66 Cl6 Fe2 N10 O6 -","2","1","","Nesterov, Dmytro S.; Nesterova, Oksana V.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalytic behaviour of a novel Fe(iii) Schiff base complex in the mild oxidation of cyclohexane","Catal. Sci. Technol.","2015","5","3","1801","","10.1039/C4CY00888J","","","0.71069","MoKα","","0.0578","0.04","","","0.1073","0.1191","","","","","","0.964","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518546","6.453","0.0002","6.544","0.0002","6.7851","0.0002","107.752","0.001","97.132","0.001","107.192","0.001","253.356","0.014","123","","123","","","","","","","","see text","5","P 1","P 1","1","","","","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","1","1","","Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.","Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation","Catal. Sci. Technol.","2015","5","4","2282","","10.1039/C4CY01604A","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0381","0.0381","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518547","20.5911","0.0003","6.9325","0.0001","12.3919","0.0002","90","","117.372","0.001","90","","1570.87","0.04","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F3 Mo O3 -","- C6 H5 F3 Mo O3 -","- C48 H40 F24 Mo8 O24 -","8","1","","Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.","Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation","Catal. Sci. Technol.","2015","5","4","2282","","10.1039/C4CY01604A","","x-ray","0.71073","MoKα","","0.0247","0.0194","","","0.0431","0.0448","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518673","13.6507","0.0006","10.3032","0.0003","13.9805","0.0006","90","","109.803","0.005","90","","1850.02","0.14","296","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 N2 O9 S -","- C33 H48 N2 O9 S -","- C66 H96 N4 O18 S2 -","2","1","","Shen, Hongyun; Shen, Chao; Chen, Chao; Wang, Anming; Zhang, Pengfei","Novel glycosyl pyridyl-triazole@palladium nanoparticles: efficient and recoverable catalysts for C‒C cross-coupling reactions","Catal. Sci. Technol.","2015","5","4","2065","","10.1039/C5CY00013K","","","0.71073","MoKα","","0.1119","0.0653","","","0.1717","0.1906","","","","","","0.918","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1518674","12.3155","0.0007","15.9288","0.0008","19.2346","0.001","79.609","0.004","87.992","0.004","81.295","0.004","3668.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H71 Cl2 N3 Pd -","- C75 H71 Cl2 N3 Pd -","- C150 H142 Cl4 N6 Pd2 -","2","1","","Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar","Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts","Catal. Sci. Technol.","2015","5","3","1447","","10.1039/C5CY00058K","","","1.54178","CuKα","","0.0767","0.0605","","","0.1593","0.1685","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518675","35.0018","0.0017","11.2158","0.0005","15.2054","0.001","90","","111.789","0.008","90","","5542.8","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(IMes)PdCl2(TEA)","","- C27 H39 Cl2 N3 Pd -","- C27 H39 Cl2 N3 Pd -","- C216 H312 Cl16 N24 Pd8 -","8","1","","Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar","Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts","Catal. Sci. Technol.","2015","5","3","1447","","10.1039/C5CY00058K","","","0.71075","MoKα","","0.0764","0.0486","","","0.0994","0.1121","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519361","12.8779","0.0009","19.9196","0.0014","24.2784","0.0019","90","","103.146","0.007","90","","6064.7","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1","complex 1","","- C64 H88 N2 O5 Sc -","- C64 H88 N2 O5 Sc -","- C256 H352 N8 O20 Sc4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.1107","0.0696","","","0.1795","0.2074","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519362","13.106","0.0003","19.8031","0.0004","24.2374","0.0005","90","","103.093","0.0018","90","","6127","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","complex 2","","- C64.5 H85 N2 O5 Yb -","- C64.5 H85 N2 O5 Yb -","- C258 H340 N8 O20 Yb4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0497","0.0364","","","0.0884","0.095","","","","","","1.075","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519363","10.8744","0.0003","29.9882","0.0013","21.5416","0.0008","90","","99.001","0.003","90","","6938.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 3","","- C73 H105 N2 O8 Y -","- C73 H105 N2 O8 Y -","- C292 H420 N8 O32 Y4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.1143","0.0658","","","0.1671","0.1922","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519364","10.8719","0.0004","30.0322","0.0013","21.6152","0.0008","90","","99.151","0.004","90","","6967.7","0.5","223","0.1","223","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 5","","- C73 H105 N2 Nd O8 -","- C73 H89 N2 Nd O8 -","- C292 H356 N8 Nd4 O32 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0598","0.0418","","","0.1071","0.1157","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519365","17.715","0.01","14.656","0.008","20.41","0.02","90","","98.17","0.02","90","","5245","7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex 6","","- C52 H76 N3 O4 Si2 Yb -","- C52 H76 N3 O4 Si2 Yb -","- C208 H304 N12 O16 Si8 Yb4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71075","MoKα","","0.0745","0.0595","","","0.1298","0.1364","","","","","","1.193","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519366","17.6572","0.0006","14.6349","0.0005","20.3043","0.0007","90","","98.333","0.003","90","","5191.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex 7","","- C52 H76 N3 O4 Si2 Y -","- C52 H76 N3 O4 Si2 Y -","- C208 H304 N12 O16 Si8 Y4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0815","0.046","","","0.0783","0.0878","","","","","","0.976","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519632","16.6109","0.0004","8.7885","0.0002","17.8015","0.0005","90","","90","","90","","2598.75","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo O3 -","- C15 H12 Mo O3 -","- C120 H96 Mo8 O24 -","8","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0237","0.0213","","","0.0559","0.0581","","","","","","1.051","","","","has coordinates","171425","2020-10-21","18:00:00",""
"1519633","8.1106","0.0002","14.7261","0.0004","12.4891","0.0003","90","","100.409","0.001","90","","1467.12","0.06","123","","123","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 F5 Mo O3 -","- C15 H7 F5 Mo O3 -","- C60 H28 F20 Mo4 O12 -","4","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0179","0.0153","","","0.0358","0.0369","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519699","11.5936","0.0006","11.9201","0.0007","12.1223","0.0006","63.593","0.005","88.025","0.004","67.331","0.005","1365.41","0.16","299.4","0.7","299.4","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cl8 Co5 N18 -","- C40 H46 Cl8 Co5 N18 -","- C40 H46 Cl8 Co5 N18 -","1","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.1097","0.0652","","","0.1246","0.1433","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519700","9.2529","0.0012","10.6355","0.0011","11.0493","0.0013","63.622","0.011","86.489","0.01","74.907","0.01","938.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H18 Co3 N8 O8.5 -","- C30.5 H18 Co3 N8 O8.5 -","- C30.5 H18 Co3 N8 O8.5 -","1","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0672","0.0596","","","0.1872","0.1933","","","","","","1.171","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519701","9.2567","0.001","15.269","0.004","10.2578","0.0003","90","","96.72","0.005","90","","1439.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Co N16 O2 -","- C28 H22 Co N16 O2 -","- C56 H44 Co2 N32 O4 -","2","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0501","0.0391","","","0.0895","0.0963","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519702","9.1787","0.001","15.2181","0.0011","10.3355","0.0008","90","","96.657","0.008","90","","1434","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N16 Ni O2 -","- C28 H22 N16 Ni O2 -","- C56 H44 N32 Ni2 O4 -","2","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0902","0.053","","","0.0903","0.1073","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519703","14.6978","0.0014","19.3933","0.0017","10.356","0.0009","90","","90","","90","","2951.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H8 Cu2 N8 O -","- C14 H8 Cu2 N8 O -","- C112 H64 Cu16 N64 O8 -","8","1","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0821","0.0538","","","0.1216","0.139","","","","","","1.033","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1519704","19.1314","0.0003","19.1314","0.0003","20.6667","0.0003","90","","90","","90","","7564.2","0.2","293","2","293","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C14 H16 Mn N8 O4 -","- C14 H16 Mn N8 O4 -","- C224 H256 Mn16 N128 O64 -","16","","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.71073","MoKα","","0.0457","0.0397","","","0.1126","0.118","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520028","16.189","0.002","4.6448","0.0007","9.8821","0.0017","90","","92.866","0.005","90","","742.15","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.066","0.0524","","","0.1469","0.1579","","","","","","1.022","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520029","5.0263","0.0006","10.9683","0.0015","13.3113","0.0014","90","","93.465","0.003","90","","732.51","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0227","0.0197","","","0.0499","0.0512","","","","","","1.084","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520030","9.3024","0.001","8.3301","0.0011","21.227","0.002","90","","94.1","0.005","90","","1640.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.1347","0.0647","","","0.1531","0.1887","","","","","","0.976","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520031","12.3869","0.0006","7.756","0.0004","16.0899","0.0008","90","","95.514","0.003","90","","1538.65","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0888","0.061","","","0.1588","0.171","","","","","","0.971","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520032","7.874","0.0008","7.9775","0.0008","12.3173","0.0011","90","","92.715","0.002","90","","772.84","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C44 H24 N4 -","2","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0414","0.0402","","","0.1091","0.1111","","","","","","1.056","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520033","7.9622","0.0004","12.3209","0.0007","21.0198","0.0011","90","","90","","90","","2062.07","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 O P -","- C28 H23 O P -","- C112 H92 O4 P4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.05","0.0407","","","0.1006","0.1058","","","","","","1.05","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520034","4.92","0.0007","5.3316","0.0008","27.538","0.005","90","","93.562","0.006","90","","721","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0439","0.0387","","","0.1026","0.1057","","","","","","1.08","","","","has coordinates","301777","2025-08-18","15:08:06",""
"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",""
"1520262","6.702","0.003","11.902","0.006","18.892","0.004","90","","90","","90","","1507","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O4 S -","- C14 H18 N2 O4 S -","- C56 H72 N8 O16 S4 -","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","","0.0554","0.0416","","","0.0948","0.1007","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520263","8.2251","0.0001","10.3695","0.0001","9.9358","0.0001","90","","94.251","0.0007","90","","845.095","0.016","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Rhodium complex","12a","","- C16 H18 N4 O2 S -","- C16 H18 N4 O2 S -","- C32 H36 N8 O4 S2 -","2","1","","Deshpande, Sudhindra H.; Shende, Vaishali S.; Shingote, Savita K.; Chakravarty, Debamitra; Puranik, Vedavati G.; Chaudhari, Raghunath V.; Kelkar, Ashutosh A.","Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones","RSC Advances","2015","5","64","51722","51729","10.1039/C5RA08220J","","","0.71073","MoKα","","0.0297","0.0291","","","0.0791","0.08","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520321","4.5659","0.0001","4.5659","0.0001","14.1764","0.0004","90","","90","","120","","255.947","0.011","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B Ga O3 -","- B Ga O3 -","- B6 Ga6 O18 -","6","0.166667","","Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth","Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3","Crystals","2015","5","2","252","","10.3390/cryst5020252","","x-ray","0.71073","MoKα","","0.0155","0.0153","","","0.0432","0.0433","","","","","","1.172","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520578","14.1016","0.0005","14.4022","0.0006","20.4554","0.0009","94.939","0.004","95.386","0.003","119.157","0.004","3570.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H57 Cu3 N38 O22.5 -","- C56 H56 Cu3 N38 O22.5 -","- C112 H112 Cu6 N76 O45 -","2","1","","Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes","Catal. Sci. Technol.","2015","5","8","4108","","10.1039/C5CY00462D","","","0.71073","MoKα","","0.058","0.0401","","","0.0912","0.1021","","","","","","1.047","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520579","14.4651","0.0005","19.3815","0.0006","14.1054","0.0005","90","","90.991","0.003","90","","3953.9","0.2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 B6 Cu4 F8 N4 O17 -","- C24 H48 B6 Cu4 F8 N4 O17 -","- C96 H192 B24 Cu16 F32 N16 O68 -","4","0.5","","Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes","Catal. Sci. Technol.","2015","5","8","4108","","10.1039/C5CY00462D","","","0.71073","MoKα","","0.0423","0.0342","","","0.0802","0.0848","","","","","","1.031","","","","has coordinates,has disorder","153062","2020-10-21","18:00:00",""
"1520736","7.2412","0.0003","10.1066","0.0004","19.681","0.0008","90","","90","","90","","1440.33","0.1","100","2","100","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones – experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0238","0.0228","","","0.063","0.0634","","","","","","1.038","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520737","7.1805","0.0001","9.8395","0.0001","19.6096","0.0003","90","","90","","90","","1385.47","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones – experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0607","0.0611","","","","","","1.046","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520738","10.0568","0.0007","14.9314","0.0011","16.7695","0.0012","90","","90","","90","","2518.1","0.3","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 N3 O Ru S -","- C24 H25 Cl2 N3 O Ru S -","- C96 H100 Cl8 N12 O4 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0543","0.0498","","","0.1258","0.1284","","","","","","1.065","","","","has coordinates,has disorder","170918","2020-10-21","18:00:00",""
"1520739","6.6174","0.0001","17.1016","0.0003","19.4048","0.0004","90","","90","","90","","2196","0.07","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O Ru S2 -","- C20 H20 Cl2 N2 O Ru S2 -","- C80 H80 Cl8 N8 O4 Ru4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0198","0.0177","","","0.0438","0.0443","","","","","","1.049","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520740","6.503","0.0001","10.2867","0.0001","31.8305","0.0004","90","","90","","90","","2129.28","0.05","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O2 Ru S -","- C20 H20 Cl2 N2 O2 Ru S -","- C80 H80 Cl8 N8 O8 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0155","0.0148","","","0.0375","0.0376","","","","","","1.058","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1521275","8.5336","0.001","11.7835","0.0014","13.3762","0.0015","100.381","0.002","95.958","0.002","103.944","0.002","1268.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ir(C2H4)(POCOP)] (6)","","","- C24 H43 Ir O2 P2 -","- C24 H43 Ir O2 P2 -","- C48 H86 Ir2 O4 P4 -","2","1","","Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A.","Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism","Catal. Sci. Technol.","2015","5","9","4575","","10.1039/C5CY00837A","","","0.71073","MoKα","","0.0348","0.0264","","","0.0473","0.0496","","","","","","0.996","","","","has coordinates","155207","2020-10-21","18:00:00",""
"1521276","16.2181","0.0009","10.735","0.0006","15.8712","0.0008","90","","107.894","0.002","90","","2629.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ir(C3H6)(POCOP)] (7)","","","- C25 H45 Ir O2 P2 -","- C25 H45 Ir O2 P2 -","- C100 H180 Ir4 O8 P8 -","4","1","","Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A.","Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism","Catal. Sci. Technol.","2015","5","9","4575","","10.1039/C5CY00837A","","","0.71073","MoKα","","0.0518","0.0382","","","0.0931","0.1038","","","","","","1.042","","","","has coordinates,has disorder","155207","2020-10-21","18:00:00",""
"1521427","5.4677","","5.4396","","41.2475","","90","","90","","90","","1226.79","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","Bi5 Ti3 Fe O15","","- Bi5 Fe O15 Ti3 -","- Bi5 Fe O15 Ti3 -","- Bi20 Fe4 O60 Ti12 -","4","0.5","","Ko, T.-Y.; Jun, C.-H.; Lee, J.-S.","A combined Rietveld refinement on the crystal structure of a magnetoelectric Aurivillius phase Bi5 Ti3 Fe O15 using neutron and X-ray powder diffraction","The Korean Journal of Ceramics","1999","5","","341","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522280","12.12","","12.12","","12.12","","90","","90","","90","","1780.36","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Fe23 Y6 -","- Fe23 Y6 -","- Fe92 Y24 -","4","0.0208333","","Kripyakevich, P.I.; Frankevich, D.P.; Voroshilov, Yu.V.","Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron","Poroshkovaya Metallurgiya","1965","5","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522284","12.34","","12.34","","12.34","","90","","90","","90","","1879.08","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho6 Mn23 -","- Ho6 Mn23 -","- Ho24 Mn92 -","4","0.0208333","","Kripyakevich, P.I.; Frankevich, D.P.; Voroshilov, Yu.V.","Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron","Poroshkovaya Metallurgiya","1965","5","","55","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522565","2.9","","2.9","","2.9","","90","","90","","90","","24.389","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.95 Sb0.05)","","- Fe0.95 Sb0.05 -","- Fe0.95 Sb0.05 -","- Fe1.9 Sb0.1 -","2","0.0208333","","Nageswararao, M.; McMahon, C.J.jr.; Herman, H.","The solubility and solution behavior of antimony and tin in alpha-iron and the effects of nickel and chromium additions","Metallurgical Transactions","1974","5","","1061","1068","","","","","","","","","","","","","","","","","","","","","","has coordinates","142821","2020-10-21","18:00:00",""
"1522789","3.61","","3.61","","3.61","","90","","90","","90","","47.046","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Hf -","- Hf -","- Hf2 -","2","0.0208333","","Ross, R.G.; Hume-Rothery, W.","A study of some binary hafnium compounds","Journal of the Less-Common Metals","1963","5","","258","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523002","4.629","","4.629","","5.849","","90","","90","","120","","108.539","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Rh2 Th -","- Rh2 Th -","- Rh4 Th2 -","2","0.0833333","","Thomson, J.R.","Alloys of thorium with certain transition metals. I. The system thorium-rhodium","Journal of the Less-Common Metals","1963","5","","437","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523034","10.114","","7.662","","3.897","","105","","81.8","","96.4","","287.84","","","","","","","","","","","","","5","P -1","-P 1","2","","Fe (S C (N H2)2)2 (N C S)2","","- C4 H8 Fe N6 S4 -","- C4 H8 Fe N6 S4 -","- C4 H8 Fe N6 S4 -","1","0.5","","Valle, G.; Russo, U.; Calogero, S.","The crystal and molecular structure of bis(thiourea)iron(II) thiocyanate","Transition Metal Chemistry","1980","5","","26","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523039","4.828","","4.828","","4.828","","90","","90","","90","","112.539","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Pd V3 -","- Pd V3 -","- Pd2 V6 -","2","0.0416667","","Vielhaber, E.; Luo, H.L.","New A15-phases","Solid State Communications","1967","5","","221","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523040","5.626","","5.626","","5.626","","90","","90","","90","","178.073","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Tl0.8 Zr3.2 -","- Tl0.8 Zr3.2 -","- Tl1.6 Zr6.4 -","2","0.0416667","","Vielhaber, E.; Luo, H.L.","New A15 phases","Solid State Communications","1967","5","","221","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523041","5.187","","5.187","","5.187","","90","","90","","90","","139.556","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Hg Ti3 -","- Hg Ti3 -","- Hg2 Ti6 -","2","0.0416667","","Vielhaber, E.; Luo, H.L.","New A15-phases","Solid State Communications","1967","5","","221","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523188","2.756","","2.756","","3.1927","","90","","90","","90","","24.25","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(Ni Zn)","","- Ni Zn -","- Ni Zn -","- Ni Zn -","1","0.03125","","Anantatmula, R.P.; Masson, D.B.","Thermodynamic properties of solid Ni-Zn alloys by atomic absorption","Metallurgical Transactions","1974","5","","605","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523225","5.472","","5.472","","5.472","","90","","90","","90","","163.847","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Gd0.022 Yb0.978)","","- Gd0.022 Yb0.978 -","- Gd0.022 Yb0.978 -","- Gd0.088 Yb3.912 -","4","0.0208333","","Beaudry, B.J.; Spedding, F.H.","The Gd-Yb and Lu-Yb systems","Metallurgical Transactions","1974","5","","1631","1636","","","","","","","","","","","","","","","","","","","","","","has coordinates","143839","2020-10-21","18:00:00",""
"1523440","2.625","","2.625","","4.238","","90","","90","","120","","25.29","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ni Tc)","","- Ni Tc -","- Ni Tc -","- Ni Tc -","1","0.0416667","","Darby, J.B.jr.; Norton, L.J.; Downey, J.W.","A survey of the binary systems of technetium with group VIII transition elements","Journal of the Less-Common Metals","1963","5","","397","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523441","2.74","","2.74","","4.34","","90","","90","","120","","28.218","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ir Tc)","","- Ir Tc -","- Ir Tc -","- Ir Tc -","1","0.0416667","","Darby, J.B.jr.; Norton, L.J.; Downey, J.W.","A survey of the binary systems of technetium with group VIII transition elements","Journal of the Less-Common Metals","1963","5","","397","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523713","4.41","","4.3","","14.19","","90","","90","","90","","269.085","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","La Ge1.75","","- Ge1.75 La -","- Ge1.75 La -","- Ge7 La4 -","4","0.25","","Gladyshevskii, E.I.","Crystal structure of the digermanide of rare earth elements","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1964","5","","568","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524030","10.8819","","10.8819","","19.2366","","90","","90","","120","","1972.73","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Co.605 Cr.395)38 W15","","- Co22.99 Cr15.01 W15 -","- Co22.989 Cr15.009 W15.002 -","- Co68.967 Cr45.027 W45.006 -","3","0.166667","","Barrows, R.G.; Newkirk, J.B.","Phase equilibria in the Co-Cr-W system with special emphasis on the R-phase","Metallography","1972","5","","515","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","144684","2020-10-21","18:00:00",""
"1524094","5.844","","5.844","","5.844","","90","","90","","90","","199.586","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co2 Ga Ti -","- Co2 Ga Ti -","- Co8 Ga4 Ti4 -","4","0.0208333","","Booth, J.G.; Pritchard, R.G.","Stuctural and magnetic properties of Co2 Ga2-x Tix alloys","Journal of Physics F","1975","5","","347","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524244","2.628","","2.628","","4.19","","90","","90","","120","","25.061","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Co Tc -","- Co Tc -","- Co Tc -","1","0.0416667","","Darby, J.B.jr.; Norton, L.J.; Downey, J.W.","A survey of the binary systems of technetium with group VIII transition elements","Journal of the Less-Common Metals","1963","5","","397","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525119","3.1363","","3.1363","","3.1363","","90","","90","","90","","30.85","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Co0.08 Mo0.92)","","- Co0.08 Mo0.92 -","- Co0.08 Mo0.92 -","- Co0.16 Mo1.84 -","2","0.0208333","","Quinn, T.J.; Hume-Rothery, W.","The equilibrium diagram of the system molybdenum- cobalt","Journal of the Less-Common Metals","1963","5","","314","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","146017","2020-10-21","18:00:00",""
"1525120","2.5973","","2.5973","","4.2124","","90","","90","","120","","24.61","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Co0.82 Mo0.18)","","- Co0.82 Mo0.18 -","- Co0.82 Mo0.18 -","- Co1.64 Mo0.36 -","2","0.0833333","","Quinn, T.J.; Hume-Rothery, W.","The equilibrium diagram of the system molybdenum-cobalt","Journal of the Less-Common Metals","1963","5","","314","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","146018","2020-10-21","18:00:00",""
"1525744","5.91","","10.727","","7.91","","90","","90","","90","","501.467","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Tl2 Cr O4","","- Cr O4 Tl2 -","- Cr O4 Tl2 -","- Cr4 O16 Tl8 -","4","0.5","","Carter, R.L.; Margulis, T.N.","Crystal Structure of Tl2 Cr O4","Journal of Solid State Chemistry","1972","5","","75","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525849","5.385","","5.366","","11.81","","90","","90","","90","","341.261","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","Ca1.50 Nd.50 Mn O4","","- Ca1.5 Mn Nd0.5 O4 -","- Ca1.5 Mn Nd0.5 O4 -","- Ca6 Mn4 Nd2 O16 -","4","0.25","","Daoudi, A.; le Flem, G.","Sur une Serie de Solutions Solides de Formule Ca2-x Lnx Mn O4 (Ln = Pr, Nd, Sm, Eu, Gd)","Journal of Solid State Chemistry","1972","5","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525913","4.55","","4.55","","2.86","","90","","90","","90","","59.209","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","(V0.976 Cr0.024) O2","","- Cr0.024 O2 V0.976 -","- Cr0.024 O2 V0.976 -","- Cr0.048 O4 V1.952 -","2","0.125","","Marezio, M.; McWhan, D.B.; Remeika, J.P.; Dernier, P.D.","Structural aspects of the metal-insulator transition in Cr-doped V O2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1972","5","","2541","2551","","","","","","","","","","","","","","","","","","","","","","has coordinates","146989","2020-10-21","18:00:00",""
"1525914","9.0664","","5.797","","4.5255","","90","","91.88","","90","","237.723","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","V.976 Cr.024 O2","","- Cr0.024 O2 V0.976 -","- Cr0.024 O2 V0.976 -","- Cr0.192 O16 V7.808 -","8","1","","Marezio, M.; McWhan, D.B.; Remeika, J.P.; Dernier, P.D.","Structural Aspects of the Metal-Insulator Transition in Cr-Doped V O2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1972","5","","2541","2551","","","","","","","","","","","","","","","","","","","","","","has coordinates","146991","2020-10-21","18:00:00",""
"1526007","5.099","","4.934","","12.672","","90","","105.85","","90","","306.687","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Te (V O4)","","- O4 Te V -","- O4 Te V -","- O16 Te4 V4 -","4","1","","Meunier, G.; Darriet, J.; Galy, J.","L'oxyde double Te V O4 I. Synthese et polymorphisme, structure cristalline de alpha-Te V O4","Journal of Solid State Chemistry","1972","5","","314","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526059","7.1772","","7.1772","","6.3289","","90","","90","","90","","326.016","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Tb (V O4)","","- O4 Tb V -","- O4 Tb V -","- O16 Tb4 V4 -","4","0.125","","Fuess, H.; Kallel, A.","Refinement of the crystal structure of some rare earth vanadates R V O4 (R = Dy, Tb, Ho, Yb)","Journal of Solid State Chemistry","1972","5","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526060","7.143","","7.143","","6.313","","90","","90","","90","","322.105","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Dy (V O4)","","- Dy O4 V -","- Dy O4 V -","- Dy4 O16 V4 -","4","0.125","","Fuess, H.; Kallel, A.","Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4 (R = Dy, Tb, Ho, Yb)","Journal of Solid State Chemistry","1972","5","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526061","7.1214","","7.1214","","6.2926","","90","","90","","90","","319.125","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Ho (V O4)","","- Ho O4 V -","- Ho O4 V -","- Ho4 O16 V4 -","4","0.125","","Fuess, H.; Kallel, A.","Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4 (R = Dy, Tb, Ho, Yb)","Journal of Solid State Chemistry","1972","5","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526138","7.77","","6.143","","6.965","","90","","90","","90","","332.447","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","V (P O4) O","","- O5 P V -","- O5 P V -","- O20 P4 V4 -","4","0.5","","Gopal, R.; Calvo, C.","Crystal structure of beta-V P O5","Journal of Solid State Chemistry","1972","5","","432","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526158","7.032","","5","","14.425","","90","","116.59","","90","","453.539","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cr Fe Ti2 O7","","- Cr Fe O7 Ti2 -","- Cr Fe O7 Ti2 -","- Cr4 Fe4 O28 Ti8 -","4","1","","Grey, I.E.; Mumme, W.G.","The Structure of Cr Fe Ti2 O7","Journal of Solid State Chemistry","1972","5","","168","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526256","3.947","","3.947","","3.947","","90","","90","","90","","61.49","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Sr3 Fe2 Te O9)0.333","","- Fe0.666 O2.997 Sr0.999 Te0.333 -","- Fe0.6667 O3 Sr Te0.3333 -","- Fe0.6667 O3 Sr Te0.3333 -","1","0.0208333","","Harari, D.; Bernier, J.C.; Poix, P.","Contribution a l'Etude de Deux Tellurates de Type Perovskite","Journal of Solid State Chemistry","1972","5","","382","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","147398","2020-10-21","18:00:00",""
"1526258","5.77","","5.77","","14.207","","90","","90","","120","","409.623","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Fe ((Fe Te) O9)","","- Ba3 Fe2 O9 Te -","- Ba3 Fe2 O9 Te -","- Ba6 Fe4 O18 Te2 -","2","0.0833333","","Harari, D.; Bernier, J.C.; Poix, P.","Contribution a l'Etude de Deux Tellurates de Type Perovskite","Journal of Solid State Chemistry","1972","5","","382","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526261","13.015","","12.597","","5.795","","90","","90","","90","","950.09","","","","","","","","","","","","","3","F 2 2 2","F 2 2","22","","Cr.10 V1.90 O4","","- Cr0.1 O4 V1.9 -","- Cr0.1 O4 V1.9 -","- Cr1.6 O64 V30.4 -","16","1","","Pierce, J.W.; Goodenough, J.B.","Structure of Orthorhombic V.95 Cr.05 O2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1972","5","","4104","4111","","","","","","","","","","","","","","","","","","","","","","has coordinates","147403","2020-10-21","18:00:00",""
"1526340","4.9646","","5.4023","","4.9154","","90.32","","119.31","","63.93","","99.496","","","","","","","","","","","","","3","P 1","P 1","1","","Cu V O3","","- Cu O3 V -","- Cu O3 V -","- Cu O3 V -","1","1","","Rea, J.R.; Bless, P.W.; Kostiner, E.","The Crystal Structure of Cu V O3, a Distorted Ilmenite-Type Derivative","Journal of Solid State Chemistry","1972","5","","446","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526355","8.38","","8.38","","8.38","","90","","90","","90","","588.48","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ni Cr Mn O4","","- Cr Mn Ni O4 -","- Cr Mn Ni O4 -","- Cr8 Mn8 Ni8 O32 -","8","0.0416667","","Renault, N.; Baffier, N.; Huber, M.","Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4","Journal of Solid State Chemistry","1972","5","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526357","8.366","","8.366","","8.366","","90","","90","","90","","585.536","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ni Mn.5 Cr1.5 O4","","- Cr1.5 Mn0.5 Ni O4 -","- Cr1.5 Mn0.5 Ni O4 -","- Cr12 Mn4 Ni8 O32 -","8","0.0416667","","Renault, N.; Baffier, N.; Huber, M.","Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4","Journal of Solid State Chemistry","1972","5","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526359","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ni Mn.2 Cr1.8 O4","","- Cr1.8 Mn0.2 Ni O4 -","- Cr1.8 Mn0.2 Ni O4 -","- Cr14.4 Mn1.6 Ni8 O32 -","8","0.0416667","","Renault, N.; Huber, M.; Baffier, N.","Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4","Journal of Solid State Chemistry","1972","5","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527223","37.63","","3.8358","","13.7129","","90","","91.65","","90","","1978.52","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","In6.6 Ca3.1 S13","","- Ca3.1 In6.6 S13 -","- Ca3.101 In6.6 S13 -","- Ca12.404 In26.4 S52 -","4","0.5","","Chapuis, G.; Niggli, A.","Crystal structure and crystal chemistry of a new sulfide In6.6 Ca3.1 S13","Journal of Solid State Chemistry","1972","5","","126","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","148661","2020-10-21","18:00:00",""
"1527245","4.07","","4.07","","4.07","","90","","90","","90","","67.419","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Br4)0.25","","- Br Cu0.25 H3.5 N -","- Br Cu0.252 H3.5008 N -","- Br Cu0.252 H3.5008 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) bromide, Br4 Cu H14 N4","Crystal Structure Communications","1976","5","","57","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527246","3.901","","3.901","","3.901","","90","","90","","90","","59.365","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4) (Cu (N H3)2) Cl3)0.3333","","- Cl0.9999 Cu0.3333 H3.333 N0.9999 -","- Cl Cu0.333 H3.3336 N -","- Cl Cu0.333 H3.3336 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Ammonium diamminecopper(II) chloride, Cl3 Cu H10 N3","Crystal Structure Communications","1976","5","","63","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527247","3.91","","3.91","","3.91","","90","","90","","90","","59.776","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Cl4)0.25","","- Cl Cu0.25 H3.5 N -","- Cl Cu0.249 H3.5 N -","- Cl Cu0.249 H3.5 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) chloride, Cl4 Cu H14 N4","Crystal Structure Communications","1976","5","","61","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527249","3.64","","3.64","","18.65","","90","","90","","120","","213.999","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K Pr O2","","- K O2 Pr -","- K O2 Pr -","- K3 O6 Pr3 -","3","0.0833333","","Clos, R.; Fouassier, C.; Devalette, M.; Hagenmuller, P.","Sur deux nouveaux oxydes doubles K Ce O2 et K Pr O2 a structure Na Fe O2 alpha. Les solutions solides K1+x/3 Pr(III)1-x Pr(IV)2x/3 O2","Materials Research Bulletin","1970","5","","179","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527351","3.2","","3.2","","3.2","","90","","90","","90","","32.768","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ta V)","","- Ta V -","- Ta V -","- Ta V -","1","0.0104167","","Eremenko, V.N.; Tret'yachenko, L.A.; Yakhimovich, R.I.","Fusion diagram of the tantalum-vanadium system","Zhurnal Neorganicheskoi Khimii","1960","5","","1110","1112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527383","9.234","","11.77","","6.778","","91.17","","110.72","","69.48","","640.768","","","","","","","","","","","","","4","P -1","-P 1","2","","(Pr (H2 O)4) (N O3)3 (H2 O)2","","- H12 N3 O15 Pr -","- N3 O15 Pr -","- N6 O30 Pr2 -","2","1","","Fuller, C.; Jacobson, R.A.","Tris(nitrato)tetraaquopraseodymium(III) dihydrate, Pr (N O3)3 (H2 O)4 (H2 O)2","Crystal Structure Communications","1976","5","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527420","8.35","","8.35","","6.26","","90","","90","","120","","377.988","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Er5 Ge3 -","- Er5 Ge3 -","- Er10 Ge6 -","2","0.0833333","","Gladyshevskii, E.I.","Compounds of the Mn5 Si3 type in alloys of rare earth metals with germanium","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1964","5","","919","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527423","3.851","","3.851","","30.85","","90","","90","","120","","396.217","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Zn1.685 In2.21 S5","","- In2.16 S5 Zn1.65 -","- In2.16 S5 Zn1.65 -","- In4.32 S10 Zn3.3 -","2","0.166667","","Gnehm, C.; Niggli, A.","Crystal structures in the system Zn-In-S","Journal of Solid State Chemistry","1972","5","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","148996","2020-10-21","18:00:00",""
"1527424","3.857","","3.857","","24.961","","90","","90","","120","","321.582","","","","","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Zn4.10 In1.53 S8","","- In1.53 S8 Zn4.1 -","- In1.532 S8 Zn4.1 -","- In1.532 S8 Zn4.1 -","1","0.166667","","Gnehm, C.; Niggli, A.","Crystal Structures in the System Zn-In-S","Journal of Solid State Chemistry","1972","5","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","148997","2020-10-21","18:00:00",""
"1527425","3.838","","3.838","","31.3","","90","","90","","120","","399.287","","","","","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Zn6.58 In2.02 S10","","- In2.02 S10 Zn6.58 -","- In2.02 S10 Zn6.58 -","- In2.02 S10 Zn6.58 -","1","0.166667","","Gnehm, C.; Niggli, A.","Crystal Structures in the System Zn-In-S","Journal of Solid State Chemistry","1972","5","","118","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","148998","2020-10-21","18:00:00",""
"1527463","7.3785","","7.3785","","10.5125","","90","","90","","120","","495.647","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sn P3","","- P3 Sn -","- P3 Sn -","- P18 Sn6 -","6","0.166667","","Gullman, J.; Olofsson, O.","The crystal structure of Sn P3 and a note on the crystal structure of Ge P3","Journal of Solid State Chemistry","1972","5","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527464","7.05","","7.05","","9.932","","90","","90","","120","","427.509","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ge P3 -","- Ge P3 -","- Ge6 P18 -","6","0.166667","","Gullman, J.; Olofsson, O.","The Crystal STructure of Sn P3 and a Note on the Crystal Structure of Ge P3","Journal of Solid State Chemistry","1972","5","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527523","8.7835","","11.219","","5.286","","90","","90","","90","","520.893","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Fe2 S3 -","- Ba Fe2 S3 -","- Ba4 Fe8 S12 -","4","0.25","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527524","11.878","","5.447","","9.16","","90","","90","","90","","592.647","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527525","11.408","","11.408","","10.256","","90","","90","","90","","1334.74","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba6 Fe8 S15 -","- Ba6 Fe8 S15 -","- Ba12 Fe16 S30 -","2","0.125","","Hong, H.Y.-P.; Steinfink, H.","The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527526","10.843","","10.843","","7.384","","90","","90","","120","","751.833","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ba3 Fe3 Se7 -","- Ba3 Fe3 Se7 -","- Ba6 Fe6 Se14 -","2","0.166667","","Hong, H.Y.-P.; Steinfink, H.","The crystal chemistry of phases in the Ba-Fe-S and Se systems","Journal of Solid State Chemistry","1972","5","","93","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527608","3.988","","3.988","","3.883","","90","","90","","120","","53.482","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co0.25 Si0.75)2 U","","- Co0.5 Si1.5 U -","- Co0.5 Si1.5 U -","- Co0.5 Si1.5 U -","1","0.0416667","","Kaczorowski, D.; Noel, H.","Spin-glas-like behaviour in U2 T Si3 (T= Fe, Co, Ni or Cu) intermetallics with distorted Al B2- and alpha-Th Si2-type structure","Journal of Physics: Condensed Matter","1993","5","","9185","9195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528163","5.256","","5.256","","5.256","","90","","90","","90","","145.2","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Ti3 (Ti0.2 Tl0.8)","","- Ti3.2 Tl0.8 -","- Ti3.2 Tl0.8 -","- Ti6.4 Tl1.6 -","2","0.0416667","","Vielhaber, E.; Luo, H.L.","New A-15 phases","Solid State Communications","1967","5","","221","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","150113","2020-10-21","18:00:00",""
"1528257","3.87","","3.87","","5.03","","90","","90","","120","","65.241","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ni3 (As Ga)","","- As Ga Ni3 -","- As Ga Ni3 -","- As Ga Ni3 -","1","0.0416667","","Zheng, X.-Y.; Lin, J.-C.; Swenson, D.; Hsieh, K.-C.; Chang, Y.A.","Phase equilibria of Ga-Ni-As at 600 deg. C and the structural relationships between gamma-Ni3 Ga2, gamma Ni13 Ga9 and T-Ni3 Ga As","Materials Science and Engineering B","1989","5","","63","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528540","4.49","","4.49","","6.9","","90","","90","","90","","139.105","","","","","","","","","","","","","3","I -4","I -4","82","","Be S O4","","- Be O4 S -","- Be O4 S -","- Be2 O8 S2 -","2","0.25","","Grund, A.","Die Kristallstruktur von Be S O4","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1955","5","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529201","15.72","0.0017","14.2236","0.0015","28.919","0.003","90","","96.12","0.002","90","","6429.3","1.2","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71.5 H54 Al Cl5 N4 O3 -","- C71.5 H54 Al Cl5 N4 O3 -","- C286 H216 Al4 Cl20 N16 O12 -","4","1","","Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi","Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides","Catal. Sci. Technol.","2015","5","9","4644","","10.1039/C5CY00982K","","","0.71073","MoKα","","0.1492","0.0904","","","0.247","0.2841","","","","","","1.042","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529202","14.265","0.003","20.847","0.004","18.412","0.003","90","","97.691","0.004","90","","5426.2","1.8","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Al Cl3 N4 O2 -","- C68 H50 Al Cl3 N4 O2 -","- C272 H200 Al4 Cl12 N16 O8 -","4","1","","Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi","Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides","Catal. Sci. Technol.","2015","5","9","4644","","10.1039/C5CY00982K","","","0.71073","MoKα","","0.2017","0.0948","","","0.2311","0.2932","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529333","9.659","0.004","9.659","0.004","9.659","0.004","90","","90","","90","","901.1","0.6","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cs2 Dy F6 Rb -","- Cs2 Dy F6 Rb -","- Cs8 Dy4 F24 Rb4 -","4","0.0208333","","S.V. Misjul; M.S. Molokeev; L.V. Osokina; I.N. Saphonov","Structural Changes during Phase Transitions, Critical and Noncritical Order Parameters in the Elpasolite Cs2RbDyF6","Journal of Siberian Federal University. Mathematics & Physics","2012","5","4","566","575","","","","0.71073","MoKα","","0.0241","0.0241","","","0.1158","0.1158","","","","","","1.127","","","","has coordinates,has Fobs","152729","2020-10-21","18:00:00",""
"1529334","6.8072","0.0008","6.8012","0.0009","9.6379","0.0018","90","","90.356","0.007","90","","446.2","0.11","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs2 Dy F6 Rb -","- Cs2 Dy F6 Rb -","- Cs4 Dy2 F12 Rb2 -","2","0.5","","S.V. Misjul; M.S. Molokeev; L.V. Osokina; I.N. Saphonov","Structural Changes during Phase Transitions, Critical and Noncritical Order Parameters in the Elpasolite Cs2RbDyF6","Journal of Siberian Federal University. Mathematics & Physics","2012","5","4","566","575","","powder diffraction","x-ray","1.5406","","","0.09221","","","","","","","0.04844","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529351","30.669","0.006","9.919","0.002","19.894","0.004","90","","110.18","0.03","90","","5680","2","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H48 K0.28 N16 Ni2 O4 Rb7.72 Si18 -","- C4 H48 K0.274 N16 Ni2 O4 Rb7.725 Si18 -","- C16 H192 K1.096 N64 Ni8 O16 Rb30.9 Si72 -","4","0.5","","Gärtner, Stefanie; Hamberger, Markus; Korber, Nikolaus","The First Chelate-Free Crystal Structure of a Silicide Transition Metal Complex [K0.28Rb7.72Si9Ni(CO)2]2·16NH3","Crystals","2015","5","3","275","","10.3390/cryst5030275","","","0.71073","MoKα","","0.0568","0.0349","","","0.0667","0.0711","","","","","","0.954","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1529352","8.0275","0.001","7.8676","0.0013","34.961","0.005","90","","90.106","0.009","90","","2208","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-bis(1,3-Dithiolylidene) 4,5,7-trinitro-9-fluorenone-2-carboxylic acid","","- C20 H9 N3 O9 S4 -","- C20 H9 N3 O9 S4 -","- C80 H36 N12 O36 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions","Crystals","2015","5","3","283","","10.3390/cryst5030283","","","0.71073","MoKα","","0.0873","0.049","","","0.1196","0.1458","","","","","","1.037","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529353","19.078","0.005","7.2068","0.0014","19.443","0.004","90","","117.833","0.012","90","","2364","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-bis(1,3-Dithiolylidene) 4,5,7-trinitro-9-fluorenone-2-carboxylic acid methyl ester","","- C21 H11 N3 O9 S4 -","- C21 H11 N3 O9 S4 -","- C84 H44 N12 O36 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions","Crystals","2015","5","3","283","","10.3390/cryst5030283","","","0.71073","MoKα","","0.1057","0.0482","","","0.0971","0.1161","","","","","","1.002","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529375","23.1112","0.0001","15.2701","0.0001","27.7104","0.0002","90","","108.738","0.0004","90","","9260.94","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 N6 O82 P2 Ti4 W20 -","- C104 N6 O82 P2 Ti4 W20 -","- C208 N12 O164 P4 Ti8 W40 -","2","0.5","","Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species","Catal. Sci. Technol.","2015","5","10","4778","","10.1039/C5CY01031D","","","0.71069","MoKα","","0.0455","0.0381","","","0.1","0.1076","","","","","","1.055","","","","has coordinates","170920","2020-10-21","18:00:00",""
"1529376","20.57","0.004","34.716","0.007","54.711","0.011","88.88","0.03","85.12","0.03","79.8","0.03","38312","14","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- O80 P2 Ti4 W20 -","- O80 P2 Ti4 W20 -","- O640 P16 Ti32 W160 -","8","4","","Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species","Catal. Sci. Technol.","2015","5","10","4778","","10.1039/C5CY01031D","","","0.95","synchrotron","","0.1414","0.0999","","","0.2311","0.247","","","","","","0.959","","","","has coordinates","170920","2020-10-21","18:00:00",""
"1529377","9.4895","0.0009","9.9809","0.0009","18.7212","0.0017","88.615","0.002","83.84","0.001","89.586","0.002","1762.4","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O -","- C23 H14 N O -","- C92 H56 N4 O4 -","4","2","","Zhang, Chunyan; Liu, Jianhua; Xia, Chungu","Palladium‒N-heterocyclic carbene (NHC)-catalyzed synthesis of 2-ynamides via oxidative aminocarbonylation of alkynes with amines","Catal. Sci. Technol.","2015","5","10","4750","","10.1039/C5CY00993F","","","0.71073","MoKα","","0.0609","0.0517","","","0.1365","0.1431","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529481","7.65407","0.00021","11.41403","0.00028","11.39088","0.00033","90","","109.744","0.0019","90","","936.65","0.05","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Er0.24 Gd6.96 O48 W12 Yb0.8 -","- Er0.24 Gd6.96 O48 W12 Yb0.8 -","- Er0.24 Gd6.96 O48 W12 Yb0.8 -","1","0.125","","Mengyan Yin; Yangai Liu; Lefu Mei; Maxim S. Molokeev; Zhaohui Huang; Minghao Fang","Preparation, crystal structure and up-conversion luminescence of Er3+, Yb3+ co-doped Gd2(WO4)3","RSC Advances","2015","5","0","73077","73082","10.1039/C5RA12959A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.35","2.622","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529492","9.78698","0.00045","9.78698","0.00045","9.33739","0.00048","90","","90","","120","","774.56","0.06","300","","300","","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al8 Mg4 O36 Si10 -","2","0.0833333","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.38","3.529","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529493","9.79306","0.00041","9.79306","0.00041","9.33885","0.00046","90","","90","","120","","775.64","0.06","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.33 K0.34 Mg4 O36 Si9.67 -","- Al8.34 K0.34 Mg4 O36 Si9.66 -","- Al8.34 K0.34 Mg4 O36 Si9.66 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.63","2.651","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529494","9.79423","0.00048","9.79423","0.00048","9.34129","0.00051","90","","90","","120","","776.03","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.51 K0.52 Mg4 O36 Si9.49 -","- Al8.52 K0.52 Mg4 O36 Si9.48 -","- Al8.52 K0.52 Mg4 O36 Si9.48 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","2.676","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529495","9.79964","0.00049","9.79964","0.00049","9.36376","0.00055","90","","90","","120","","778.76","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9 K Mg4 O36 Si9 -","- Al9 K Mg4 O36 Si9 -","- Al9 K Mg4 O36 Si9 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.35","2.903","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529496","9.79552","0.00026","9.79552","0.00026","9.37418","0.00032","90","","90","","120","","778.97","0.04","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9.02 Mg4 O36 Rb0.99 Si8.98 -","- Al9.01152 Mg4 O36 Rb0.9884 Si8.98848 -","- Al9.01152 Mg4 O36 Rb0.9884 Si8.98848 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.854","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529497","9.79723","0.00044","9.79723","0.00044","9.34351","0.00054","90","","90","","120","","776.69","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.51 Mg4 O36 Rb0.52 Si9.49 -","- Al8.52 Mg4 O36 Rb0.52 Si9.48 -","- Al8.52 Mg4 O36 Rb0.52 Si9.48 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.78","2.395","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529498","9.79795","0.0004","9.79795","0.0004","9.3637","0.00051","90","","90","","120","","778.48","0.06","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9 Mg4 O36 Rb Si9 -","- Al9 Mg4 O36 Rb Si9 -","- Al9 Mg4 O36 Rb Si9 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.57","2.786","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529542","5.63","","5.63","","34.15","","90","","90","","120","","937.428","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba0.62 (Mg0.67 Al1.33) Al9 O17","","- Al10.33 Ba0.62 Mg0.67 O17 -","- Al10.33 Ba0.62 Mg0.67 O17 -","- Al30.99 Ba1.86 Mg2.01 O51 -","3","0.0833333","","Alden, M.; Thomas, J.O.; Farrington, G.C.","The structure of Ba2+ and Ca2+ beta(II)-alumina","Solid State Ionics","1981","5","","205","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","153988","2020-10-21","18:00:00",""
"1529543","5.624","","5.624","","33.334","","90","","90","","120","","913.08","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ca0.93 Mg0.67 Al10.33 O17","","- Al10.33 Ca0.93 Mg0.67 O17 -","- Al10.33 Ca0.93 Mg0.67 O17.0002 -","- Al30.99 Ca2.79 Mg2.01 O51.0006 -","3","0.0833333","","Alden, M.; Thomas, J.O.; Farrington, G.C.","The structure of Ba2+ and Ca2+ beta(II)-alumina","Solid State Ionics","1981","5","","205","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","153989","2020-10-21","18:00:00",""
"1529565","7.566","","5.486","","18.082","","90","","90","","111.1","","700.211","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Cd2 P6 O17","","- Cd2 O17 P6 -","- Cd2 O17 P6 -","- Cd4 O34 P12 -","2","0.5","","Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.C.","Crystal structure of cadmium ultraphosphate Cd2 P6 O17. Structural patterns of phosphorus-oxygen anions in ultraphosphates","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529698","5.6253","","5.6253","","34.067","","90","","90","","120","","933.589","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","K1.67 Mg0.67 Al10.33 O17","","- Al10.33 K1.67 Mg0.67 O17 -","- Al10.33 K1.596 Mg0.67 O17 -","- Al30.99 K4.788 Mg2.01 O51 -","3","0.0833333","","Brown, G.M.; Schwinn, D.A.; Brundage, W.E.; Bates, J.B.","Structures of four fast-ion conductors by single-crystal neutron-diffraction analysis. Zn-stabilized Na-beta(II)-alumina and Mg-stabilized Na-, K-, and Agbeta(II)-aluminas","Solid State Ionics","1981","5","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","154200","2020-10-21","18:00:00",""
"1529699","5.623","","5.623","","33.536","","90","","90","","120","","918.286","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na1.67 Mg0.67 Al10.33 O17","","- Al10.33 Mg0.67 Na1.67 O17 -","- Al10.33 Mg0.67 Na1.6722 O17.0002 -","- Al30.99 Mg2.01 Na5.0166 O51.0006 -","3","0.0833333","","Brown, G.M.; Brundage, W.E.; Bates, J.B.; Schwinn, D.A.","Structures of four fast-ion conductors by single-crystal neutron-diffraction analysis. Zn-stabilized Na-beta(II)-alumina and Mg-stabilized Na-, K-, and Agbeta(II)-aluminas","Solid State Ionics","1981","5","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","154201","2020-10-21","18:00:00",""
"1529700","5.6165","","5.6165","","33.613","","90","","90","","120","","918.268","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na1.57 Zn0.57 Al10.43 O17","","- Al10.43 Na1.57 O17 Zn0.57 -","- Al10.43 Na1.798 O17 Zn0.57 -","- Al31.29 Na5.394 O51 Zn1.71 -","3","0.0833333","","Brown, G.M.; Schwinn, D.A.; Bates, J.B.; Brundage, W.E.","Structures of four fast-ion conductors by single-crystal neutron-diffraction analysis. Zn-stabilized Na-beta(II)-alumina and Mg-stabilized Na-, K-, and Agbeta(II)-aluminas","Solid State Ionics","1981","5","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","154203","2020-10-21","18:00:00",""
"1529710","7.31","","7.31","","4.04","","90","","90","","120","","186.959","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ta O N","","- N O Ta -","- N O Ta -","- N3 O3 Ta3 -","3","0.125","","Buslaev, Yu.A.; Safronov, G.M.; Pachomov, V.I.; Glushkova, M.A.; Repko, V.P.; Zhdanova, T.A.; Zhukov, A.N.; Ershova, M.M.","The production of monocrystals and the structure of Ta O N","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","45","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529746","3.959","","3.959","","6.784","","90","","90","","120","","92.085","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu2 S -","- Cu1.9998 S -","- Cu3.9996 S2 -","2","0.0833333","","Cava, R.J.; Wuensch, B.J.; Reidinger, F.","Mobile ion distribution and anharmonic thermal motion in fast ion conducting Cu2 S","Solid State Ionics","1981","5","","501","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529747","4.9711","","4.9711","","14.788","","90","","90","","120","","316.479","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li2 (Re O3)","","- Li2 O3 Re -","- Li2 O3 Re -","- Li12 O18 Re6 -","6","0.333333","","Cava, R.J.; Roth, R.S.; Santoro, A.; Zahurak, S.M.; Murphy, D.W.","Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe V3 O8","Solid State Ionics","1981","5","","323","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529748","11.9593","","3.918","","6.4653","","90","","107.227","","90","","289.351","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Li2 Fe V3 O8","","- Fe Li2 O8 V3 -","- Fe Li2 O8 V3 -","- Fe2 Li4 O16 V6 -","2","0.25","","Cava, R.J.; Santoro, A.; Murphy, D.W.; Zahurak, S.M.; Roth, R.S.","Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe V3 O8","Solid State Ionics","1981","5","","323","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530038","3.645","","3.645","","6.81","","90","","90","","120","","78.356","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cd Tl S2","","- Cd S2 Tl -","- Cd S2 Tl -","- Cd S2 Tl -","1","0.0833333","","Guseinov, G.D.; Guseinov, G.G.; Ismailov, M.Z.; Godzhaev, E.M.","About the structure and physical properties of new semiconductor compounds Cd Tl S2 (Se2, Te2)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","33","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530134","5.525","","5.525","","17.463","","90","","90","","90","","533.069","","","","","","","","","","","","","2","P -4 c 2","P -4 -2c","116","","","","- Mn4 Si7 -","- Mn4 Si7 -","- Mn16 Si28 -","4","0.5","","Karpinskii, O.G.; Evseev, B.A.","The crystal structure of the compound Mn4 Si7","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","525","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530156","19.267","","17.513","","9.284","","90","","90","","107.9","","2981","","","","","","","","","","","","","6","B 1 1 2/b","-B 2b","15","","Cs4 (Rh (Sn F2 (H2 O)2)2 (Sn4 F15)) (H2 O)4","","- Cs4 F19 H16 O8 Rh Sn6 -","- Cs4 F19 H16 O8 Rh Sn6 -","- Cs16 F76 H64 O32 Rh4 Sn24 -","4","0.5","","Khodashova, T.S.; Porai-Koshits, M.A.; Vetrova, I.V.","Structure of a rhodium(III) complex with unusual fluorotin ligands, Cs4 (Rh (Sn F2 (H2 O)2)2 (Sn4 F15)) (H2 O)4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","754","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1530201","6.801","","7.874","","7.95","","102.51","","108.31","","104.32","","371.033","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)2 Re2 Cl8 (H2 O)2","","- Cl8 H12 N2 O2 Re2 -","- Cl8 H12 N2 O2 Re2 -","- Cl8 H12 N2 O2 Re2 -","1","0.5","","Koz'min, P.A.; Surazhskaya, M.D.; Larina, T.B.","Crystal structure of the compound (N H4)2 Re2 Cl8 (H2 O)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","752","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530203","8.7","","6.03","","12.56","","90","","90","","90","","658.91","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K2 Re F8","","- F8 K2 Re -","- F8 K2 Re -","- F32 K8 Re4 -","4","0.5","","Koz'min, P.A.","The structure investigation of potassium octafluororhenate K2 Re F8","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1964","5","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530233","2.923","","11.046","","2.875","","90","","90","","90","","92.826","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Al Fe2 B2","","- Al B2 Fe2 -","- Al B2 Fe2 -","- Al2 B4 Fe4 -","2","0.125","","Kuz'ma, Yu.B.; Chaban, N.F.","The crystal structure of the compound Fe2 Al B2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","384","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530420","6.027","","11.505","","9.389","","90","","95.72","","90","","647.798","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs2 ((U O2)2 F6 (H2 O)2)","","- Cs2 F6 H4 O6 U2 -","- Cs2 F6 H4 O6 U2 -","- Cs4 F12 H8 O12 U4 -","2","0.5","","Mikhailov, Yu.N.; Ivanov, S.B.; Sadikov, G.G.","Redetermination of the crystal structure of Cs2 ((U O2)2 F6 (H2 O)2)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1702","1705","","","","","","","","","","","","","","","","","","","","","","has coordinates","189246","2020-10-21","18:00:00",""
"1530499","4.963","","5.92","","6.857","","90","","90","","90","","201.465","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hg (O H) F","","- F H Hg O -","- F H Hg O -","- F4 H4 Hg4 O4 -","4","1","","Nozik, Yu.Z.; Fykin, L.E.; Bukin, V.I.; Laptash, N.M.","Crystal structure of mercury hydroxyfluoride Hg (O H)F determined by neutron diffraction","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","276","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530529","8.358","","6.302","","11.17","","90","","106.88","","90","","562.999","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs Hg2 Br5","","- Br5 Cs Hg2 -","- Br5 Cs Hg2 -","- Br10 Cs2 Hg4 -","2","0.5","","Pakhomov, V.I.; Fedorov, P.M.; Ivanova-Korfini, I.N.","Structure of the (Hg2 Br5)(-) anion in the Cs Hg2 Br5 crystal","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1245","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530745","13.038","","13.038","","18.296","","90","","90","","120","","2693.45","","","","","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","Na2 K6 (Mn W6 O24) (H2 O)12","","- H24 K6 Mn Na2 O36 W6 -","- H24 K6 Mn Na2 O36 W6 -","- H72 K18 Mn3 Na6 O108 W18 -","3","0.0833333","","Sergienko, V.S.; Molchanov, V.N.; Torchenkova, E.A.; Porai-Koshits, M.A.","Synthesis and crystal structure of Na2 K6 (Mn W6 O24) (H2 O)12","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","936","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530791","9.45","","9.45","","6.87","","90","","90","","120","","531.314","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Gd4.67 (Si O4)3 O","","- Gd4.67 O13 Si3 -","- Gd4.6666 O13 Si3 -","- Gd9.3332 O26 Si6 -","2","0.166667","","Smolin, Yu.I.; Shepelev, Yu.F.","The crystal structure of (Gd2 O3)7 (Si O2)9","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1969","5","","1823","1825","","","","","","","","","","","","","","","","","","","","","","has coordinates","156004","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",""
"1530857","6.506","","11.368","","8.338","","90","","90.79","","90","","616.622","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Mn U O2 (S O4)2 (H2 O)5","","- H10 Mn O15 S2 U -","- Mn O15 S2 U -","- Mn2 O30 S4 U2 -","2","1","","Tabachenko, V.V.; Serezhkin, V.I.; Serezhkina, L.B.; Kovba, L.M.","Crystal structure of manganese sulfatouranylate Mn U O2 (S O4)2 (H2 O)5","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1563","1568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530899","10.583","","8.626","","7.747","","90","","90","","112.19","","654.837","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","K (H (I O3)2)","","- H I2 K O6 -","- H I2 K O6 -","- H4 I8 K4 O24 -","4","1","","Treushnikov, E.N.; Loshmanov, A.A.; Kalinin, V.R.; Fukin, L.E.; Yamzin, I.I.; Ilyukhin, V.V.; Dudarev, V.Ya.; Solov'ev, S.P.","Neutron-diffraction study of the crystal structure of potassium acid iodate alpha-K I O3 H I O3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","263","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530922","15.02","","7.17","","5.69","","90","","90","","92.3","","612.282","","","","","","","","","","","","","5","B 1 1 2/m","-B 2","12","","K3 (Sb2 F7 (N O3)2)","","- F7 K3 N2 O6 Sb2 -","- F7 K3 N2 O6 Sb2 -","- F14 K6 N4 O12 Sb4 -","2","0.25","","Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.; Simonov, M.A.","Crystal structure of di- and trinitraroheptafluorodiantimonates(III) of potassium K (Sb2 F7) (K N O3)2 and K (Sb2 F7) (K N O3)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","133","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530923","8.613","","8.996","","19.929","","90","","90","","90","","1544.15","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","K4 Sb2 F7 (N O3)3","","- F7 K4 N3 O9 Sb2 -","- F7 K4 N3 O9 Sb2 -","- F28 K16 N12 O36 Sb8 -","4","0.5","","Udovenko, A.A.; Volkova, L.M.; Simonov, M.A.; Davidovich, R.L.","Crystal structure of di- and trinitratoheptafluorodiantimonates(III) of potassium K (Sb2 F7) (K N O3)2 and K (Sb2 F7) (K N O3)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","133","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","156156","2020-10-21","18:00:00",""
"1530924","22.243","","9.883","","7.602","","90","","90","","90.17","","1671.12","","","","","","","","","","","","","5","B 1 1 2/b","-B 2b","15","","Cs3 Sb2 F6 (N O3)3","","- Cs3 F6 N3 O9 Sb2 -","- Cs3 F6 N3 O9 Sb2 -","- Cs12 F24 N12 O36 Sb8 -","4","0.5","","Udovenko, A.A.; Volkova, L.M.; Zemnukhova, L.A.; Davidovich, R.L.","Crystal structure of cesium trinitratohexafluorodiantimonate(III) Cs3 Sb2 F6 (N O3)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","595","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530925","10.85","","10.875","","13.521","","90","","90","","90","","1595.39","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N H4)2 Sb F3 S O4","","- F3 H8 N2 O4 S Sb -","- F3 H8 N2 O4 S Sb -","- F24 H64 N16 O32 S8 Sb8 -","8","1","","Udovenko, A.A.; Davidovich, R.L.; Volkova, L.M.; Zemnukhova, L.A.","Crystal structure of ammonium sulfatotrifluoroantimonate(III) (N H4)2 Sb F3 S O4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","749","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530926","11.124","","11.63","","7.506","","90","","90","","105.03","","937.847","","","","","","","","","","","","","5","P 1 1 21","P 2c","4","","Rb4 (Sb F3)2 (N O3)4","","- F6 N4 O12 Rb4 Sb2 -","- F6 N4 O12 Rb4 Sb2 -","- F12 N8 O24 Rb8 Sb4 -","2","1","","Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.","Crystal structure of Rb3 Sb2 F6 (N O3)3 Rb N O3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1706","1710","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530927","9.559","","9.037","","7.429","","90","","90","","101.08","","629.789","","","","","","","","","","","","","5","P 1 1 21","P 2c","4","","(N H4)3 Sb F3 (N O3)3","","- F3 H12 N6 O9 Sb -","- F3 H12 N6 O9 Sb -","- F6 H24 N12 O18 Sb2 -","2","1","","Udovenko, A.A.; Volkova, L.M.; Sigula, N.I.; Davidovich, R.L.","Crystal structure of ammonium trinitratotrifluoroantimonate(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1711","1715","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531394","5.72434","","5.72434","","13.99848","","90","","90","","120","","397.249","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ti0.931 Ga0.069) O2.925","","- Ba Ga0.069 O2.925 Ti0.931 -","- Ba Ga0.0686667 O2.925 Ti0.931333 -","- Ba6 Ga0.412 O17.55 Ti5.588 -","6","0.25","","Feteira, A.; Alford, N.M.; Rampling, M.J.; Kirk, C.A.; Keith, G.M.; Reaney, I.M.; Sarma, K.; Sinclair, D.C.","Synthesis and characterisation of Ga-doped hexagonal Ba Ti O3","Crystal Engineering","2002","5","","439","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532536","5.5865","","5.7077","","7.9805","","90","","90.1","","90","","254.466","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Ca0.333 La0.667) (Ti0.667 Ca0.333) O3","","- Ca0.666 La0.667 O3 Ti0.667 -","- Ca0.6665 La0.667 O3 Ti0.6665 -","- Ca2.666 La2.668 O12 Ti2.666 -","4","1","","Aatiq, A.","Synthesis and crystal structure of the new perovskite Ca La2 Ca Ti2 O9 ( = (Ca1/3 La2/3)A (Ca1/3 Ti2/3)B O3)","Solid State Sciences","2003","5","","745","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532542","9.5964","","9.5964","","2.6001","","90","","90","","120","","207.366","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr1.32 (Mn0.677) (Mn0.149 Cu0.174) O3","","- Cu0.174 Mn0.827 O3 -","- Cu0.174 Mn0.827 O3 -","- Cu0.522 Mn2.481 O9 -","3","0.0833333","","Abakumov, A.M.; Mironov, A.V.; Govorov, V.A.; Lobanov, M.V.; Rozova, M.G.; van Tendeloo, G.; Lebedev, O.I.; Antipov, E.V.","Synthesis and structural investigations on the new Sr1.32 Mn0.83 Cu0.17 O3 compound","Solid State Sciences","2003","5","","1117","1125","","","","","","","","","","","","","","","","","","","","","","has coordinates","158471","2020-10-21","18:00:00",""
"1532545","9.5964","","9.5964","","3.93007","","90","","90","","120","","313.435","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","Sr1.32 (Mn0.677) (Mn0.149 Cu0.174) O3","","- Sr1.32 -","- Sr1.32 -","- Sr7.92 -","6","0.5","","Abakumov, A.M.; Mironov, A.V.; Govorov, V.A.; Antipov, E.V.; Lebedev, O.I.; Rozova, M.G.; Lobanov, M.V.; van Tendeloo, G.","Synthesis and structural investigations on thhe new Sr1.32 Mn0.83 Cu0.17 O3 compound","Solid State Sciences","2003","5","","1117","1125","","","","","","","","","","","","","","","","","","","","","","has coordinates","158474","2020-10-21","18:00:00",""
"1532622","5.2415","","5.2507","","40.3273","","90","","90","","90","","1109.87","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Ca Cd2 (Bi2 Nb4 O15)","","- Bi2 Ca Cd2 Nb4 O15 -","- Bi2 Ca Cd2 Nb4 O15 -","- Bi8 Ca4 Cd8 Nb16 O60 -","4","0.5","","Craus, M.L.; Rusu, I.; Rusu, A.","On some mixed oxides in the system Ca O - Cd O - Bi2 O3 - Nb2 O5. Cation distribution in a distorted Aurivillius structure","Journal of Optoelectronics and Advanced Materials","2003","5","","653","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532623","5.8364","","5.8364","","28.87","","90","","90","","120","","851.662","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Ba12 Ca3 (Mo3 Mn6 O36)","","- Ba12 Ca3 Mn6 Mo3 O36 -","- Ba12 Ca3 Mn6 Mo3 O36 -","- Ba12 Ca3 Mn6 Mo3 O36 -","1","0.0277778","","Creon, N.; Hervieu, M.; Michel, C.; Raveau, B.; Maignan, A.","Cationic ordering in hexagonal perovskite derivatives: 12R-ordered polytype oxides, Ba12 Ca3 Mo3 Mn6 O36 and Ba12 In3 Mn9 O34.5","Solid State Sciences","2003","5","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","158572","2020-10-21","18:00:00",""
"1532624","5.7382","","5.7382","","28.24","","90","","90","","120","","805.28","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba12 In3 (Mn9 O33.66)","","- Ba12 In3 Mn9 O33.66 -","- Ba12 In3 Mn9 O33.66 -","- Ba12 In3 Mn9 O33.66 -","1","0.0277778","","Creon, N.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B.","Cationic ordering in hexagonal perovskite derivatives: 12R-ordered polytype oxides, Ba12 Ca3 Mo3 Mn6 O36 and Ba12 In3 Mn9 O34.5","Solid State Sciences","2003","5","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","158573","2020-10-21","18:00:00",""
"1532660","9.271","","9.271","","14.349","","90","","90","","90","","1233.32","","","","","","","","","","","","","6","I 4/m","-I 4","87","","(Ge10 O20 F) (N (C H3)2 (C2 H5)2)","","- C6 H16 F Ge10 N O20 -","- C7.26 F Ge10 N O20 -","- C14.52 F2 Ge20 N2 O40 -","2","0.125","","Wang Yingxia; Song Jiaqing; Gies, H.","The substitution of germanium for silicon in AST-type zeolite","Solid State Sciences","2003","5","","1421","1433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532691","15.494","","10.491","","9.7","","90","","90","","90","","1576.71","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(Ti2 O3 (H2 O)2) (C2 O4) (H2 O)","","- C2 H6 O10 Ti2 -","- C2 H6 O10 Ti2 -","- C16 H48 O80 Ti16 -","8","","","Boudaren, C.; Bataille, T.; Auffredic, J.P.; Louer, D.","Synthesis, structure determination from powder diffraction data and thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2 O)","Solid State Sciences","2003","5","","175","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","158647","2020-10-21","18:00:00",""
"1532695","15.436","","10.421","","9.692","","90","","90","","90","","1559.04","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(Ti2 O3 (H2 O)2) (C2 O4)","","- C2 H4 O9 Ti2 -","- C2 O9 Ti2 -","- C16 O72 Ti16 -","8","","","Boudaren, C.; Auffredic, J.P.; Bataille, T.; Louer, D.","Synthesis, structure determination from powder diffraction data and thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2 O)","Solid State Sciences","2003","5","","175","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","158651","2020-10-21","18:00:00",""
"1532705","8.0847","","8.0847","","8.0847","","90","","90","","90","","528.435","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Mg Re O6","","- Ba2 Mg O6 Re -","- Ba2 Mg O6 Re -","- Ba8 Mg4 O24 Re4 -","4","0.0208333","","Bramnik, K.G.; Ehrenberg, H.; Dehn, J.K.; Fuess, H.","Preparation, crystal structure and magnetic properties of double perovskites M2 Mg Re O6 (M = Ca, Sr, Ba)","Solid State Sciences","2003","5","","235","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532707","5.57129","","5.57129","","7.92387","","90","","90","","90","","245.951","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr2 Mg Re O6","","- Mg O6 Re Sr2 -","- Mg O6 Re Sr2 -","- Mg2 O12 Re2 Sr4 -","2","0.0625","","Bramnik, K.G.; Ehrenberg, H.; Dehn, J.K.; Fuess, H.","Preparation, crystal structure and magnetic properties of double perovskites M2 Mg Re O6 (M = Ca, Sr, Ba)","Solid State Sciences","2003","5","","235","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532709","5.4132","","5.54174","","7.70415","","90","","90.07","","90","","231.113","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 Mg Re O6","","- Ca2 Mg O6 Re -","- Ca2 Mg O6 Re -","- Ca4 Mg2 O12 Re2 -","2","0.5","","Bramnik, K.G.; Ehrenberg, H.; Dehn, J.K.; Fuess, H.","Preparation, crystal structure and magnetic properties of double perovskites M2 Mg Re O6 (M = Ca, Sr, Ba)","Solid State Sciences","2003","5","","235","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532713","7.148","","7.148","","4.17","","90","","90","","90","","213.062","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","K2 (Pd (Br0.73 Cl3.27))","","- Br0.73 Cl3.27 K2 Pd -","- Br0.72 Cl3.28 K2 Pd -","- Br0.72 Cl3.28 K2 Pd -","1","0.0625","","Welter, R.; Vangelisti, R.; Omrani, H.","Synthese et analyse radiocristallographique de la solution solide K2 Pd Cl4-x Brx (0 < x < 4)","Comptes Rendus Chimie","2002","5","","525","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532714","7.211","","7.211","","4.201","","90","","90","","90","","218.446","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","K2 (Pd (Br1.52 Cl2.48))","","- Br1.52 Cl2.48 K2 Pd -","- Br1.52 Cl2.48 K2 Pd -","- Br1.52 Cl2.48 K2 Pd -","1","0.0625","","Welter, R.; Vangelisti, R.; Omrani, H.","Synthese et analyse radiocristallographique de la solution solide K2 Pd Cl4-x Brx (0 < x < 4)","Comptes Rendus Chimie","2002","5","","525","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532715","7.34","","7.34","","4.275","","90","","90","","90","","230.318","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","K2 (Pd (Br3.06 Cl0.94))","","- Br3.06 Cl0.94 K2 Pd -","- Br3.04 Cl0.96 K2 Pd -","- Br3.04 Cl0.96 K2 Pd -","1","0.0625","","Welter, R.; Vangelisti, R.; Omrani, H.","Synthese et analyse radiocristallographique de la solution solide K2 Pd Cl4-x Brx (0 < x < 4)","Comptes Rendus Chimie","2002","5","","525","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532737","10.2105","","4.2755","","10.987","","90","","90","","90","","479.637","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba (Al2 Ge2)","","- Al2 Ba Ge2 -","- Al2 Ba Ge2 -","- Al8 Ba4 Ge8 -","4","0.5","","Leoni, S.; Carrillo-Cabrera, W.; Schnelle, W.; Grin', Yu.","Ba Al2 Ge2 : synthesis, crystal structure, magnetic and electronic properties, chemical bonding and atomistic model of the alpha - beta phase transition","Solid State Sciences","2003","5","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532740","4.185","","4.185","","13.4531","","90","","90","","90","","235.621","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba (Al2 Ge2)","","- Al2 Ba Ge2 -","- Al2 Ba Ge2 -","- Al4 Ba2 Ge4 -","2","0.0625","","Leoni, S.; Carrillo-Cabrera, W.; Schnelle, W.; Grin', Yu.","Ba Al2 Ge2 : synthesis, crystal structure, magnetic and electronic properties, chemical bonding and atomistic model of the alpha - beta phase transition","Solid State Sciences","2003","5","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532824","19.7441","","19.7441","","17.9196","","90","","90","","120","","6049.7","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr49.86 Sc12.14 O118","","- O118 Sc12.14 Zr49.86 -","- O118 Sc12.1426 Zr49.8574 -","- O354 Sc36.4278 Zr149.572 -","3","0.166667","","Wurst, K.; Wallwork, K.S.; Schweda, E.; Bevan, D.J.M.; Mohyla, J.; Hofmann, M.","Single-crystal structure determination of Zr50 Sc12 O118","Solid State Sciences","2003","5","","1491","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","158814","2020-10-21","18:00:00",""
"1532844","11.2333","","5.64925","","15.3471","","90","","90","","90","","973.923","","","","","","","","","","","","","3","A m a m","-A 2 2a","63","","Bi4 (V2 O11)","","- Bi4 O11 V2 -","- Bi4 O11 V2 -","- Bi16 O44 V8 -","4","0.25","","Mairesse, G.; Roussel, P.; Vannier, R.N.; Anne, M.; Nowogrocki, G.; Pirovano, C.","Crystal structure determination of alpha-, beta- and gamma-(Bi4 V2 O11) polymorphs. Part I: gamma- and beta-(Bi4 V2 O11)","Solid State Sciences","2003","5","","851","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532845","16.5949","","5.6106","","15.2707","","90","","90","","90.26","","1421.8","","","","","","","","","","","","","3","A 1 1 2","A 2","5","","Bi4 (V2 O11)","","- Bi4 O11 V2 -","- Bi4 O11 V2 -","- Bi24 O66 V12 -","6","1.5","","Mairesse, G.; Nowogrocki, G.; Roussel, P.; Vannier, R.N.; Anne, M.","Crystal structure determination of alpha-, beta- and gamma-(Bi4 V2 O11) polymorphs. Part II: crystal structure of alpha-(Bi4 V2 O11)","Solid State Sciences","2003","5","","861","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532953","7.556","","7.556","","12.397","","90","","90","","120","","612.959","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Rb2 Al (Tb3 F16)","","- Al F16 Rb2 Tb3 -","- Al F16 Rb2 Tb3 -","- Al2 F32 Rb4 Tb6 -","2","0.0833333","","Josse, M.; Dubois, M.; El Ghozzi, M.; Avignant, D.","Synthesis and crystal structure of Rb2 Al Tb3 F16: a new mixed-valence terbium fluoride","Solid State Sciences","2003","5","","1141","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532972","3.792","","3.792","","17.672","","90","","90","","120","","220.066","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li1.25 Cd1.28 In0.47) Cd0.39 Cl6","","- Cd1.67 Cl6 In0.47 Li1.25 -","- Cd1.671 Cl6 In0.471 Li1.251 -","- Cd1.671 Cl6 In0.471 Li1.251 -","1","0.0277778","","Nagel, R.; Lutz, H.D.; Wickel, C.","Crystal structure of the quaternary compounds Li1.25 Cd1.67 In0.47 Cl6 and Li0.21 Mn1.71 In0.79 Cl6","Solid State Sciences","2003","5","","827","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","158994","2020-10-21","18:00:00",""
"1532973","6.42","","11.106","","6.292","","90","","110.08","","90","","421.353","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Li0.21 Mn1.71 In0.79) Cl6","","- Cl6 In0.79 Li0.21 Mn1.71 -","- Cl6 In0.787 Li0.21 Mn1.712 -","- Cl12 In1.574 Li0.42 Mn3.424 -","2","0.25","","Nagel, R.; Wickel, C.; Lutz, H.D.","Crystal structure of the quaternary compounds Li1.25 Cd1.67 In0.47 Cl6 and Li0.21 Mn1.71 In0.79 Cl6","Solid State Sciences","2003","5","","827","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","158996","2020-10-21","18:00:00",""
"1533025","5.8313","","5.8313","","14.4535","","90","","90","","120","","425.632","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Ba3 (Na0.94 Ru0.06) (Ru1.7 (C O3)0.3 O7.8)","","- C0.3 Ba3 Na0.94 O8.7 Ru1.76 -","- C0.3 Ba3 Na0.94 O8.7 Ru1.76 -","- C0.6 Ba6 Na1.88 O17.4 Ru3.52 -","2","0.0833333","","Quarez, E.; Huve, M.; Abraham, F.; Mentre, O.","From the mixed valent 6H-(Ba3 Ru(5.5+)2 Na O9) to the 6H-(Ba3 Ru1.69 C0.31) (Na0.95 Ru0.05) O8.69 oxycarbonate compound","Solid State Sciences","2003","5","","951","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","159103","2020-10-21","18:00:00",""
"1533026","5.845","","10.145","","24.163","","90","","90","","90","","1432.81","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Ba5 Na2 (Ru2 O9) (Ru O5)","","- Ba5 Na2 O14 Ru3 -","- Ba5 Na2 O14 Ru3 -","- Ba20 Na8 O56 Ru12 -","4","0.5","","Quarez, E.; Mentre, O.","Electrosynthesis, structural transitions and characterization of the new 10H-(Ba5 Ru3 Na2 O14)","Solid State Sciences","2003","5","","1105","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","159104","2020-10-21","18:00:00",""
"1533027","5.9261","","5.9261","","24.4","","90","","90","","120","","742.093","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Ba5 Na2 (Ru2 O9) (Ru O5)","","- Ba5 Na2 O14 Ru3 -","- Ba5 Na2 O13.998 Ru3 -","- Ba10 Na4 O27.996 Ru6 -","2","0.166667","","Quarez, E.; Mentre, O.","Electrosynthesis, structural transitions and characterization of the new 10H-(Ba5 Ru3 Na2 O14)","Solid State Sciences","2003","5","","1105","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","159105","2020-10-21","18:00:00",""
"1533028","8.128","","4.8322","","11.977","","90","","90","","90","","470.41","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Na2 (Si2 O5)","","- Na2 O5 Si2 -","- Na2 O5 Si2 -","- Na8 O20 Si8 -","4","1","","Rakic, S.; Kahlenberg, V.; Schmidt, B.C.","Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5","Solid State Sciences","2003","5","","473","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533029","8.172","","4.8493","","12.078","","90","","90","","90","","478.633","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(Na1.84 K0.16) (Si2 O5)","","- K0.16 Na1.84 O5 Si2 -","- K0.16 Na1.84 O5 Si2 -","- K0.64 Na7.36 O20 Si8 -","4","1","","Rakic, S.; Kahlenberg, V.; Schmidt, B.C.","Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5","Solid State Sciences","2003","5","","473","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533056","6.814","","13.235","","6.948","","90","","90","","90","","626.593","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Hf2.27 Nb2.73) Ge4","","- Ge4 Hf2.27 Nb2.73 -","- Ge4 Hf2.277 Nb2.723 -","- Ge16 Hf9.108 Nb10.892 -","4","0.5","","Richter, K.W.; Picha, R.; Ipser, H.; Franzen, H.F.","Fractional site occupation of Hf5-x Nbx Ge4 : crystallographic investigation and thermodynamic modeling","Solid State Sciences","2003","5","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","159140","2020-10-21","18:00:00",""
"1533117","3.0345","","3.0345","","17.166","","90","","90","","120","","136.891","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu Fe O2 -","- Cu Fe O2 -","- Cu3 Fe3 O6 -","3","0.0833333","","El Ataoui, K.; Doumerc, J.P.; Fournes, L.; Ammar, A.; Pouchard, M.; Gravereau, P.; Wattiaux, A.","Preparation, structural characterization and Moessbauer study of the Cu Fe1-x Vx O2 (0 <= x <= 0.67) delafossite-type solution","Solid State Sciences","2003","5","","1239","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533118","3.0304","","3.0304","","17.172","","90","","90","","120","","136.569","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cu (Fe0.75 V0.25) O2","","- Cu Fe0.75 O2 V0.25 -","- Cu Fe0.75 O2 V0.25 -","- Cu3 Fe2.25 O6 V0.75 -","3","0.0833333","","El Ataoui, K.; Doumerc, J.P.; Wattiaux, A.; Pouchard, M.; Ammar, A.; Fournes, L.; Gravereau, P.","Preparation, structural characterization and Moessbauer study of theCu Fe1-x Vx O2 (0 <= x <= 0.67) delafossite-type solution","Solid State Sciences","2003","5","","1239","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533119","3.0255","","3.0255","","17.175","","90","","90","","120","","136.151","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cu (Fe0.5 V0.5) O2","","- Cu Fe0.5 O2 V0.5 -","- Cu Fe0.5 O2 V0.5 -","- Cu3 Fe1.5 O6 V1.5 -","3","0.0833333","","El Ataoui, K.; Gravereau, P.; Doumerc, J.P.; Fournes, L.; Ammar, A.; Wattiaux, A.; Pouchard, M.","Preparation, structural characterization and Moessbauer study of theCu Fe1-x Vx O2 (0 <= x <= 0.67) delafossite-type solution","Solid State Sciences","2003","5","","1239","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533152","13.495","","13.495","","13.495","","90","","90","","90","","2457.64","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","La13 (Si18 Al12 O15 N39)","","- Al12 La13 N39 O15 Si18 -","- Al12 La13 N39 O15 Si18 -","- Al24 La26 N78 O30 Si36 -","2","0.0416667","","Esmaeilzadeh, S.; Schnick, W.","Synthesis and structural investigations of La13 Si18 Al12 O15 N39","Solid State Sciences","2003","5","","503","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","159256","2020-10-21","18:00:00",""
"1533162","8.2436","","8.2436","","8.2436","","90","","90","","90","","560.21","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","(Co0.457 Fe0.543) (Co1.543 Fe0.457) O4","","- Co2 Fe O4 -","- Co1.999 Fe1.001 O4 -","- Co15.992 Fe8.008 O32 -","8","0.0416667","","Ferreira, T.A.S.; Waerenborgh, J.C.; Nunes, M.R.; Mendonca, M.H.R.M.; Costa, F.M.","Structural and morphological characterization of Fe Co2 O4 and Co Fe2 O4 spinels prepared by a coprecipitation method","Solid State Sciences","2003","5","","383","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533163","8.3806","","8.3806","","8.3806","","90","","90","","90","","588.607","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","(Co0.255 Fe0.745) (Co0.745 Fe1.255) O4","","- Co Fe2 O4 -","- Co Fe2 O4 -","- Co8 Fe16 O32 -","8","0.0416667","","Ferreira, T.A.S.; Waerenborgh, J.C.; Mendonca, M.H.R.M.; Costa, F.M.; Nunes, M.R.","Structural and morphological characterization of Fe Co2 O4 and Co Fe2 O4 spinels prepared by a coprecipitation method","Solid State Sciences","2003","5","","383","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1533194","3.905","","3.905","","20.215","","90","","90","","90","","308.259","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","La3 (V2 N6)","","- La3 N6 V2 -","- La3 N6 V2 -","- La6 N12 V4 -","2","0.0625","","Gal, Z.A.; DiSalvo, F.J.; Cario, L.","Synthesis, structure and magnetic properties of the ternary nitride La3 V2 N6","Solid State Sciences","2003","5","","1033","1036","","","","","","","","","","","","","","","","","","","","","","has coordinates","159307","2020-10-21","18:00:00",""
"1533201","6.456","","21.291","","13.247","","81.052","","56.26","","68.221","","1403.07","","","","","","","","","","","","","3","P -1","-P 1","2","","Ni13 Sn8 P3","","- Ni13 P3 Sn8 -","- Ni13 P3 Sn8 -","- Ni52 P12 Sn32 -","4","2","","Garcia-Garcia, F.J.; Furuseth, S.; Larsson, A.K.","The crystal structure of Ni13 Sn8 P3 elucidated from HREM","Solid State Sciences","2003","5","","205","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","159316","2020-10-21","18:00:00",""
"1533202","6.6941","","6.6941","","10.4157","","90","","90","","120","","404.207","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","La Cu0.98 O2.58","","- Cu0.98 La O2.58 -","- Cu0.98 La O2.578 -","- Cu5.88 La6 O15.468 -","6","0.5","","Garlea, O.; Darie, C.; Isnard, O.; Bordet, P.; Bougerol, C.","Structure of La Cu O2.66: an oxidized delafossite compound containing hole-doped kagome planes of Cu(2+) cations","Solid State Sciences","2003","5","","1095","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533203","6.69461","","6.69461","","10.3997","","90","","90","","120","","403.647","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","(La O2) (Cu0.93 O0.57)","","- Cu0.93 La O2.57 -","- Cu0.93 La O2.57 -","- Cu5.58 La6 O15.42 -","6","0.5","","Garlea, O.; Bougerol, C.; Darie, C.; Isnard, O.; Bordet, P.","Structure of La Cu O2.66: an oxidized delafossite compound containing hole-doped kagome planes of Cu(2+) cations","Solid State Sciences","2003","5","","1095","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533204","6.68821","","6.68821","","10.3811","","90","","90","","120","","402.155","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","(La O2) (Cu0.98 O0.59)","","- Cu0.98 La O2.59 -","- Cu0.98 La O2.59 -","- Cu5.88 La6 O15.54 -","6","0.5","","Garlea, O.; Darie, C.; Bordet, P.; Bougerol, C.; Isnard, O.","Structure of La Cu O2.66: an oxidized delafossite compound containing hole-doped kagome planes of Cu(2+) cations","Solid State Sciences","2003","5","","1095","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533211","11.9804","","15.3343","","9.0816","","90","","100.34","","90","","1641.3","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","Cs4 (Cl12 (Nb (C N))6) (H2 O)0.88","","- C6 H1.76 Cl12 Cs4 N6 Nb6 O0.88 -","- C6 Cl12 Cs4 N6 Nb6 O0.88 -","- C12 Cl24 Cs8 N12 Nb12 O1.76 -","2","0.25","","Naumov, N.G.; Cordier, S.; Perrin, C.","Synthesis and structures of new cyanide and thiocyanate complexes based on (Nb6 Cl(i)12) cluster core: Cs4 (Nb6 Cl(i)12 (C N)(a)6)* (H2 O), Cs4 (Nb6 Cl(i)12 (N C S)(a)6) and the double salt (Me4 N)4 (Nb6 Cl(i)12 (C N)(a)6) * 2(Me4 N Cl) * (H 2O)","Solid State Sciences","2003","5","","1359","1367","","","","","","","","","","","","","","","","","","","","","","has coordinates","159334","2020-10-21","18:00:00",""
"1533212","8.7462","","11.9561","","20.621","","90","","90.73","","90","","2156.17","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cs4 (Cl12 (Nb (N C S))6)","","- C6 Cl12 Cs4 N6 Nb6 S6 -","- C6 Cl12 Cs3.958 N6 Nb6 S6 -","- C12 Cl24 Cs7.916 N12 Nb12 S12 -","2","0.5","","Naumov, N.G.; Cordier, S.; Perrin, C.","Synthesis and structures of new cyanide and thiocyanate complexes based on (Nb6 Cl(i)12) cluster core: Cs4 (Nb6 Cl(i)12 (C N)(a)6)* (H2 O), Cs4 (Nb6 Cl(i)12 (N C S)(a)6) and the double salt (Me4 N)4 (Nb6 Cl(i)12 (C N)(a)6) * 2(Me4 N Cl) * (H 2O)","Solid State Sciences","2003","5","","1359","1367","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533213","12.7159","","12.8099","","12.9326","","64.93","","78.79","","60.31","","1657.3","","","","","","","","","","","","","6","P -1","-P 1","2","","(((C H3)4 N)4 (Cl12 (Nb (C N))6)) (((C H3)4 N) Cl)2 (H2 O)2","","- C30 H76 Cl14 N12 Nb6 O2 -","- C30 Cl14 N12 Nb6 O2 -","- C30 Cl14 N12 Nb6 O2 -","1","0.5","","Naumov, N.G.; Cordier, S.; Perrin, C.","Synthesis and structures of new cyanide and thiocyanate complexes based on (Nb6 Cl(i)12) cluster core: Cs4 (Nb6 Cl(i)12 (C N)(a)6)* (H2 O), Cs4 (Nb6 Cl(i)12 (N C S)(a)6) and the double salt (Me4 N)4 (Nb6 Cl(i)12 (C N)(a)6) * 2((Me4 N Cl) * (H 2O))","Solid State Sciences","2003","5","","1359","1367","","","","","","","","","","","","","","","","","","","","","","has coordinates","159336","2020-10-21","18:00:00",""
"1533340","8.51","","4.058","","18.151","","90","","90","","90","","626.819","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","K ((Cd0.84 Hg0.16) Cl3) (H2 O)","","- Cd0.84 Cl3 H2 Hg0.16 K O -","- Cd0.84 Cl3 H2 Hg0.16 K O -","- Cd3.36 Cl12 H8 Hg0.64 K4 O4 -","4","0.5","","Zouari, F.; Ben Salah, A.; Savariault, J.M.","Crystal structure and phase transition in the mixed compound K Cd0.84 Hg0.16 Cl3 * (H2 O)","Solid State Sciences","2003","5","","1069","1074","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533343","3.7712","","3.7712","","20.197","","90","","90","","90","","287.241","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La2 Sr (Al2 O7)","","- Al2 La2 O7 Sr -","- Al2 La2 O7 Sr -","- Al4 La4 O14 Sr2 -","2","0.0625","","Zvereva, I.; Smirnov, Yu.; Gusarov, V.; Popova, V.; Choisnet, J.","Complex aluminates RE2 Sr Al2 O7 (RE = La, Nd, Sm-Ho): cation ordering and stability of the double perovskite slab-rocksalt layer P2/RS intergrowth","Solid State Sciences","2003","5","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533344","3.724","","3.724","","19.938","","90","","90","","90","","276.504","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Nd2 Sr (Al2 O7)","","- Al2 Nd2 O7 Sr -","- Al2 Nd2 O7 Sr -","- Al4 Nd4 O14 Sr2 -","2","0.0625","","Zvereva, I.; Smirnov, Yu.; Gusarov, V.; Popova, V.; Choisnet, J.","Complex aluminates RE2 Sr Al2 O7 (RE= La, Nd, Sm-Ho): cation ordering and stability of the double perovskite slab-rocksalt layer P2/RS intergrowth","Solid State Sciences","2003","5","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533345","3.7159","","3.7159","","19.876","","90","","90","","90","","274.446","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sm2 Sr (Al2 O7)","","- Al2 O7 Sm2 Sr -","- Al2 O7 Sm1.99 Sr1.01 -","- Al4 O14 Sm3.98 Sr2.02 -","2","0.0625","","Zvereva, I.; Smirnov, Yu.; Popova, V.; Gusarov, V.; Choisnet, J.","Complex aluminates RE2 Sr Al2 O7 (RE = La, Nd, Sm-Ho): cation ordering and stability of the double perovskite slab-rocksalt layer P2/RS intergrowth","Solid State Sciences","2003","5","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533346","3.7101","","3.7101","","19.831","","90","","90","","90","","272.971","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Eu2 Sr (Al2 O7)","","- Al2 Eu2 O7 Sr -","- Al2 Eu1.99 O7 Sr1.01 -","- Al4 Eu3.98 O14 Sr2.02 -","2","0.0625","","Zvereva, I.; Smirnov, Yu.; Gusarov, V.; Popova, V.; Choisnet, J.","Complex aluminates RE2 Sr Al2 O7 (RE = La, Nd, Sm-Ho): cation ordering and stability of the double perovskite slab-rocksalt layer P2/RS intergrowth","Solid State Sciences","2003","5","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533347","3.7044","","3.7044","","19.671","","90","","90","","90","","269.937","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tb2 Sr (Al2 O7)","","- Al2 O7 Sr Tb2 -","- Al2 O7 Sr Tb2 -","- Al4 O14 Sr2 Tb4 -","2","0.0625","","Zvereva, I.; Smirnov, Yu.; Gusarov, V.; Popova, V.; Choisnet, J.","Complex aluminates RE2 Sr Al2 O7 (RE = La, Nd, Sm-Ho): cation ordering and stability of the double perovskite slab-rocksalt layer P2/RS intergrowth","Solid State Sciences","2003","5","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533348","3.7053","","3.7053","","19.565","","90","","90","","90","","268.613","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dy2 Sr (Al2 O7)","","- Al2 Dy2 O7 Sr -","- Al2 Dy2 O7 Sr -","- Al4 Dy4 O14 Sr2 -","2","0.0625","","Zvereva, I.; Gusarov, V.; Smirnov, Yu.; Popova, V.; Choisnet, J.","Complex aluminates RE2 Sr Al2 O7 (RE = La, Nd, Sm-Ho): cation ordering and stability of the double perovskite slab-rocksalt layer P2/RS intergrowth","Solid State Sciences","2003","5","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533350","3.709","","3.709","","19.448","","90","","90","","90","","267.54","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ho2 Sr (Al2 O7)","","- Al2 Ho2 O7 Sr -","- Al2 Ho2 O7 Sr -","- Al4 Ho4 O14 Sr2 -","2","0.0625","","Zvereva, I.; Smirnov, Yu.; Choisnet, J.; Gusarov, V.; Popova, V.","Complex aluminates RE2 Sr Al2 O7 (RE = La, Nd, Sm-Ho): cation ordering and stability of the double perovskite slab-rocksalt layer P2/RS intergrowth","Solid State Sciences","2003","5","","343","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533390","4.6958","","4.6958","","10.5749","","90","","90","","90","","233.182","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Zr (Si O4)","","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.25","","Akhtar, M.J.; Waseem, S.","Computational study of scheelite (Zr Si O4) by employing static simulation techniques","Solid State Sciences","2003","5","","541","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533416","11.9539","","11.6004","","15.724","","90","","90.25","","90","","2180.43","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pb5 Bi18 (P O4)4 O26","","- Bi18 O42 P4 Pb5 -","- Bi18 O42 P4 Pb5 -","- Bi36 O84 P8 Pb10 -","2","0.25","","Giraud, S.; Obbade, S.; Suard, E.; Wignacourt, J.P.; Steinfink, H.","Structures and ionic conductivities in two fluorite type families: Pb5 Bi17 X5 O43 and Pb5 Bi18 X4 O42 (X = P, V and As)","Solid State Sciences","2003","5","","335","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533438","15.411","","21.8809","","10.15","","90","","109.42","","90","","3227.92","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sr (V6 O15)","","- O15 Sr V6 -","- O15 Sr V6 -","- O180 Sr12 V72 -","12","3","","Sellier, C.; Boucher, F.; Janod, E.","Crystal structure and charge order below the metal-insulator transition in the vanadium bronze beta-(Sr V6 O15)","Solid State Sciences","2003","5","","591","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533446","21.042","","21.042","","12.159","","90","","90","","120","","4662.33","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y (P O3)3","","- O9 P3 Y -","- O9 P3 Y -","- O216 P72 Y24 -","24","1.33333","","Graia, M.; Driss, A.; Jouini, T.","Crystal structure of three polymorphs of Y (P O3)3","Solid State Sciences","2003","5","","393","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533449","14.176","","6.7075","","10.0853","","90","","127.597","","90","","759.809","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Y (P O3)3","","- O9 P3 Y -","- O9 P3 Y -","- O36 P12 Y4 -","4","0.5","","Graia, M.; Driss, A.; Jouini, T.","Crystal structure of three polymorphs of Y (P O3)3","Solid State Sciences","2003","5","","393","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533452","6.997","","9.693","","10.989","","90","","91.84","","90","","744.911","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Y (P O3)3","","- O9 P3 Y -","- O9 P3 Y -","- O36 P12 Y4 -","4","1","","Graia, M.; Driss, A.; Jouini, T.","Crystal structure of three polymorphs of Y (P O3)3","Solid State Sciences","2003","5","","393","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533477","5.7953","","5.8007","","14.957","","90","","90","","90","","502.806","","","","","","","","","","","","","3","C m 2 m","C -2 -2","38","","Sm0.56 Sr0.94 Nb S3.5","","- S1.5 Sm0.56 Sr0.94 -","- S1.5 Sm0.56 Sr0.94 -","- S6 Sm2.24 Sr3.76 -","4","0.5","","Grippa, A.Yu.; Antipov, E.V.; Lidin, S.; Svensson, G.; Rupasov, D.P.; Khasanova, N.R.; D'yachenko, O.G.","New strontium and rare earth-based mixed niobium misfit sulfides","Solid State Sciences","2003","5","","495","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533481","3.339","","5.855","","14.936","","90","","90","","90","","291.996","","","","","","","","","","","","","2","C m 2 m","C -2 -2","38","","Sm0.516 Sr0.94 Nb S3.5","","- Nb S2 -","- Nb S2 -","- Nb2 S4 -","2","0.25","","Grippa, A.Yu.; Lidin, S.; Rupasov, D.P.; Svensson, G.; D'yachenko, O.G.; Khasanova, N.R.; Antipov, E.V.","New strontium and rare earth-based mixed niobium misfit sulfides","Solid State Sciences","2003","5","","495","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533506","5.501","","5.4744","","12.5783","","90","","90","","90","","378.791","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","(La1.95 Na0.05) (Ni O4)","","- La1.95 Na0.05 Ni O4 -","- La1.95 Na0.05 Ni O4 -","- La7.8 Na0.2 Ni4 O16 -","4","0.125","","Shivakumara, C.; Lalla, N.P.; Hegde, M.S.; Prakash, A.S.; Subbanna, G.N.; Khadar, A.M.A.","Low temperature synthesis, structure and properties of alkali-doped La2 Ni O4, La Ni O3 and La Ni0.85 Cu0.15 O3 from alkali hydroxide fluxes","Solid State Sciences","2003","5","","351","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533509","5.445","","5.445","","13.151","","90","","90","","120","","337.664","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.97 K0.03) (Ni O3)","","- K0.03 La0.97 Ni O3 -","- K0.03 La0.97 Ni O3 -","- K0.18 La5.82 Ni6 O18 -","6","0.166667","","Shivakumara, C.; Subbanna, G.N.; Hegde, M.S.; Khadar, A.M.A.; Prakash, A.S.; Lalla, N.P.","Low temperature synthesis, structure and properties of alkali-dopedLa2 Ni O4, La Ni O3 and La Ni0.85 Cu0.15 O3 from alkali hydroxide fluxes","Solid State Sciences","2003","5","","351","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533563","3.861","","3.861","","12.6844","","90","","90","","90","","189.09","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","La2 (Ni O4.126)","","- La2 Ni O4.126 -","- La2 Ni O4.126 -","- La4 Ni2 O8.252 -","2","0.0625","","Skinner, S.J.","Characterisation of La2 Ni O4+d using in-situ high temperature neutron powder diffraction","Solid State Sciences","2003","5","","419","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533567","3.8953","","3.8953","","12.7655","","90","","90","","90","","193.696","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","La2 (Ni O3.99)","","- La2 Ni O3.99 -","- La2 Ni O3.99 -","- La4 Ni2 O7.98 -","2","0.0625","","Skinner, S.J.","Characterisation of La2 Ni O4+d using in-situ high temperature neutron powder diffraction","Solid State Sciences","2003","5","","419","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533569","5.1864","","5.1864","","14.1445","","90","","90","","120","","329.496","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Zn4 (Nb2 O9)","","- Nb2 O9 Zn4 -","- Nb2 O9 Zn4 -","- Nb4 O18 Zn8 -","2","0.166667","","Tarakina, N.V.; Tyutyunnik, A.P.; Hannerz, H.; D'yachkova, T.V.; Zubkov, V.G.; Zainulin, Yu.G.; Svensson, G.","High temperature/high pressure synthesis and crystal structure of the new corundum related compound Zn4 Nb2 O9","Solid State Sciences","2003","5","","459","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","159823","2020-10-21","18:00:00",""
"1533570","5.70485","","5.70485","","5.70485","","90","","90","","90","","185.666","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","K Y3 F10","","- F10 K Y3 -","- F10 K Y3 -","- F10 K Y3 -","1","0.0208333","","Grzechnik, A.; Gesland, J.Y.; Crichton, W.A.","Potassium triyttriumdecafluoride, K Y3 F10, synthesized at high pressures and high temperatures","Solid State Sciences","2003","5","","757","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533571","3.8843","","3.8843","","12.7529","","90","","90","","90","","192.413","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","La2 (Ni O4)","","- La2 Ni O4 -","- La2 Ni O4 -","- La4 Ni2 O8 -","2","0.0625","","Skinner, S.J.","Characterisation of La2 Ni O4+d using in-situ high temperature neutron powder diffraction","Solid State Sciences","2003","5","","419","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533573","4.7472","","5.7453","","5.1496","","90","","90","","90.023","","140.451","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","(Mn0.333 Ta0.667) O2","","- Mn0.333 O2 Ta0.667 -","- Mn0.333 O2 Ta0.667 -","- Mn1.332 O8 Ta2.668 -","4","1","","Tarakina, N.V.; Zainulin, Yu.G.; Tyutyunnik, A.P.; Zubkov, V.G.; Svensson, G.; Hannerz, H.; D'yachkova, T.V.","High temperature - high pressure synthesis and crystal structure of the incommensurately modulated, alpha-(Pb O2) related, compound Mn Ta2 O6","Solid State Sciences","2003","5","","983","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533697","6.2215","","8.7843","","6.1848","","90","","90","","90","","338.009","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H0.31 F2.69)","","- Ca F2.69 H0.31 K -","- Ca F2.692 H0.308 K -","- Ca4 F10.768 H1.232 K4 -","4","0.5","","Soulie, J.P.; Laval, J.P.; Bouamrane, A.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","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",""
"1533701","6.2347","","8.8105","","6.2083","","90","","90","","90","","341.027","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H0.712 F2.288)","","- Ca F2.288 H0.712 K -","- Ca F2.288 H0.712 K -","- Ca4 F9.152 H2.848 K4 -","4","0.5","","Soulie, J.P.; Bouamrane, A.; Laval, J.P.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533705","6.259","","8.819","","6.239","","90","","90","","90","","344.381","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H1.294 F1.706)","","- Ca F1.706 H1.294 K -","- Ca F1.706 H1.294 K -","- Ca4 F6.824 H5.176 K4 -","4","0.5","","Soulie, J.P.; Laval, J.P.; Bouamrane, A.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533709","6.268","","8.866","","6.274","","90","","90","","90","","348.659","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ca (H1.764 F1.236)","","- Ca F1.236 H1.764 K -","- Ca F1.236 H1.764 K -","- Ca4 F4.944 H7.056 K4 -","4","0.5","","Soulie, J.P.; Bouamrane, A.; Laval, J.P.","Structural characterization of new hydridofluorides K Ca H3-x Fx with x = 1; 1.5; 2; 2.5","Solid State Sciences","2003","5","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533713","5.3398","","5.3419","","26.8336","","90","","90","","90","","765.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca3.093 Bi0.693) (Mn3 O10)","","- Bi0.693 Ca3.093 Mn3 O10 -","- Bi0.693 Ca3.093 Mn3 O10 -","- Bi2.772 Ca12.372 Mn12 O40 -","4","0.5","","Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Cruz, M.M.; Costa, F.M.; Godinho, M.","Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study","Solid State Sciences","2003","5","","943","949","","","","","","","","","","","","","","","","","","","","","","has coordinates","159982","2020-10-21","18:00:00",""
"1533717","5.33","","7.519","","5.329","","90","","90","","90","","213.566","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.791 Bi0.196) (Mn O3)","","- Bi0.196 Ca0.791 Mn O3 -","- Bi0.196 Ca0.791 Mn O3 -","- Bi0.784 Ca3.164 Mn4 O12 -","4","0.5","","Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Costa, F.M.; Cruz, M.M.; Godinho, M.","Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study","Solid State Sciences","2003","5","","943","949","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533724","3.9208","","3.9208","","3.281","","90","","90","","90","","50.438","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Nd (Ni O2)","","- Nd Ni O2 -","- Nd Ni O2 -","- Nd Ni O2 -","1","0.0625","","Hayward, M.A.; Rosseinsky, M.J.","Synthesis of the infinite layer Ni(I) phase Nd Ni O2+x by low temperature reduction of Nd Ni O3 with sodium hydroxide","Solid State Sciences","2003","5","","839","850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533728","3.9186","","3.9186","","3.363","","90","","90","","90","","51.64","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Nd (Ni O2.09)","","- Nd Ni O2.09 -","- Nd0.999 Ni0.999 O2.087 -","- Nd0.999 Ni0.999 O2.087 -","1","0.0625","","Hayward, M.A.; Rosseinsky, M.J.","Synthesis of the infinite layer Ni(I) phase Nd Ni O2+x by low temperature reduction of Nd Ni O3 with sodium hydroxide","Solid State Sciences","2003","5","","839","850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533742","5.7769","","5.602","","8.9722","","90","","102.893","","90","","283.04","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hg (I O3)2","","- Hg I2 O6 -","- Hg I2 O6 -","- Hg2 I4 O12 -","2","1","","Bentria, B.; Bagieu-Beucher, M.; Benbertal, D.; Mosset, A.; Zaccaro, J.","Crystal engineering strategy for quadratic nonlinear optics. Part II: Hg (I O3)2","Solid State Sciences","2003","5","","359","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533777","8.211","","8.211","","8.211","","90","","90","","90","","553.59","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.93 Ga0.07) ((Mn1.5 Ga0.43 Li0.07) O4)","","- Ga0.5 Li Mn1.5 O4 -","- Ga0.5 Li Mn1.5 O4 -","- Ga4 Li8 Mn12 O32 -","8","0.0416667","","Strobel, P.; Anne, M.; Ibarra-Palos, A.; Poinsignon, C.; Crisci, A.","Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration spectroscopy studies","Solid State Sciences","2003","5","","1009","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533781","8.2794","","8.2794","","8.2794","","90","","90","","90","","567.54","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.5 Mg0.5) ((Mn1.5 Mg0.5) O4)","","- Li0.5 Mg Mn1.5 O4 -","- Li0.5 Mg Mn1.5 O4 -","- Li4 Mg8 Mn12 O32 -","8","0.0416667","","Strobel, P.; Ibarra-Palos, A.; Anne, M.; Crisci, A.; Poinsignon, C.","Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration spectroscopy studies","Solid State Sciences","2003","5","","1009","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533785","8.2678","","8.2678","","8.2678","","90","","90","","90","","565.158","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.17 Zn0.83) ((Mn1.5 Li0.33 Zn0.17) O4)","","- Li0.5 Mn1.5 O4 Zn -","- Li0.5 Mn1.5 O4 Zn -","- Li4 Mn12 O32 Zn8 -","8","0.0416667","","Strobel, P.; Poinsignon, C.; Ibarra-Palos, A.; Crisci, A.; Anne, M.","Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration spectroscopy studies","Solid State Sciences","2003","5","","1009","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533788","8.1667","","8.1667","","8.1667","","90","","90","","90","","544.678","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Li ((Mn1.5 (Ni0.44 Li0.06)) O4)","","- Li1.06 Mn1.5 Ni0.44 O4 -","- Li1.065 Mn1.5 Ni0.435 O4 -","- Li8.52 Mn12 Ni3.48 O32 -","8","0.333333","","Strobel, P.; Ibarra-Palos, A.; Anne, M.; Poinsignon, C.; Crisci, A.","Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration spectroscopy studies","Solid State Sciences","2003","5","","1009","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","160066","2020-10-21","18:00:00",""
"1533791","8.1888","","8.1888","","8.1888","","90","","90","","90","","549.112","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.9 Cu0.1) ((Mn1.5 (Cu0.23 Li0.27)) O4)","","- Cu0.33 Li1.17 Mn1.5 O4 -","- Cu0.332 Li1.168 Mn1.5 O4 -","- Cu2.656 Li9.344 Mn12 O32 -","8","0.333333","","Strobel, P.; Ibarra-Palos, A.; Crisci, A.; Poinsignon, C.; Anne, M.","Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration spectroscopy studies","Solid State Sciences","2003","5","","1009","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","160069","2020-10-21","18:00:00",""
"1533802","9.859","","17.067","","30.618","","90","","96.11","","90","","5122.63","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba18 (Ti52.54 Ta2.46 O129)","","- Ba18 O129 Ta2.46 Ti52.54 -","- Ba18 O129 Ta2.464 Ti52.536 -","- Ba36 O258 Ta4.928 Ti105.072 -","2","0.25","","Vanderah, T.A.; Roth, R.S.; Siegrist, T.; Loezos, J.M.; Febo, W.; Wong-Ng, W.","Subsolidus phase equilibria and crystal chemistry in the system (BaO) - (Ti O2) - (Ta2 O5)","Solid State Sciences","2003","5","","149","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","160082","2020-10-21","18:00:00",""
"1533806","9.855","","17.081","","16.719","","90","","101.18","","90","","2760.96","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba10 (Ti27 Ta2 O69)","","- Ba10 O69 Ta2 Ti27 -","- Ba10 O69 Ta1.934 Ti27.066 -","- Ba20 O138 Ta3.868 Ti54.132 -","2","0.25","","Vanderah, T.A.; Roth, R.S.; Siegrist, T.; Febo, W.; Wong-Ng, W.; Loezos, J.M.","Subsolidus phase equilibria and crystal chemistry in the system (BaO) - (Ti O2) - (Ta2 O5)","Solid State Sciences","2003","5","","149","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","160086","2020-10-21","18:00:00",""
"1533883","3.9849","","3.9849","","3.9849","","90","","90","","90","","63.278","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Ba0.7 Na0.3) ((Ti0.7 Nb0.3) O3)","","- Ba0.7 Na0.3 Nb0.3 O3 Ti0.7 -","- Ba0.7 Na0.3 Nb0.3 O3 Ti0.7 -","- Ba0.7 Na0.3 Nb0.3 O3 Ti0.7 -","1","0.0208333","","Khemakhem, S.; Yahyaoui, S.; Ben Hassen, R.; Ben Salah, A.; Khemakhem, H.","Crystal structure and electrical behaviour of the new ceramic Ba0.7 Na0.3 Ti0.7 Nb0.3 O3","Solid State Sciences","2003","5","","367","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","160170","2020-10-21","18:00:00",""
"1533888","5.04724","","5.04724","","5.04724","","90","","90","","90","","128.577","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Ce3 N0.92) In","","- Ce3 In N0.92 -","- Ce3 In N0.92 -","- Ce3 In N0.92 -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Niewa, R.; Wagner, F.R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533889","5.1275","","5.1275","","5.1275","","90","","90","","90","","134.808","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(La3 N) In","","- In La3 N -","- In La3 N -","- In La3 N -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533890","5.0095","","5.0095","","5.0095","","90","","90","","90","","125.714","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Pr3 N) In","","- In N Pr3 -","- In N Pr3 -","- In N Pr3 -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533891","4.9796","","4.9796","","4.9796","","90","","90","","90","","123.476","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Nd3 N) In","","- In N Nd3 -","- In N Nd3 -","- In N Nd3 -","1","0.0208333","","Kirchner, M.; Niewa, R.; Schnelle, W.; Wagner, F.R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533892","4.9077","","4.9077","","4.9077","","90","","90","","90","","118.205","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Sm3 N) In","","- In N Sm3 -","- In N Sm3 -","- In N Sm3 -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Niewa, R.; Wagner, F.R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533893","4.8126","","4.8126","","4.8126","","90","","90","","90","","111.465","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Tb3 N) In","","- In N Tb3 -","- In N Tb3 -","- In N Tb3 -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533894","4.4482","","4.4482","","4.4482","","90","","90","","90","","88.014","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Sc3 N) In","","- In N Sc3 -","- In N Sc3 -","- In N Sc3 -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533895","5.1219","","5.1219","","5.1219","","90","","90","","90","","134.367","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Ce3 C) In","","- C Ce3 In -","- C Ce3 In -","- C Ce3 In -","1","0.0208333","","Kirchner, M.; Niewa, R.; Schnelle, W.; Wagner, F.R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533896","5.0667","","5.0667","","5.0667","","90","","90","","90","","130.07","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Nd3 C) In","","- C In Nd3 -","- C In Nd3 -","- C In Nd3 -","1","0.0208333","","Kirchner, M.; Wagner, F.R.; Schnelle, W.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533897","4.8627","","4.8627","","4.8627","","90","","90","","90","","114.983","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Gd3 N) In","","- Gd3 In N -","- Gd3 In N -","- Gd3 In N -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533898","4.7859","","4.7859","","4.7859","","90","","90","","90","","109.62","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Dy3 N) In","","- Dy3 In N -","- Dy3 In N -","- Dy3 In N -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533899","4.7611","","4.7611","","4.7611","","90","","90","","90","","107.925","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Ho3 N) In","","- Ho3 In N -","- Ho3 In N -","- Ho3 In N -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533901","4.7366","","4.7366","","4.7366","","90","","90","","90","","106.267","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Er3 N) In","","- Er3 In N -","- Er3 In N -","- Er3 In N -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533903","4.708","","4.708","","4.708","","90","","90","","90","","104.354","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Tm3 N) In","","- In N Tm3 -","- In N Tm3 -","- In N Tm3 -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Niewa, R.; Wagner, F.R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533904","4.6716","","4.6716","","4.6716","","90","","90","","90","","101.952","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Lu3 N) In","","- In Lu3 N -","- In Lu3 N -","- In Lu3 N -","1","0.0208333","","Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.","Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal","Solid State Sciences","2003","5","","1247","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533961","6.9209","","5.7134","","8.0215","","90","","90","","90","","317.185","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (Al B O4)","","- Al B O4 Pb -","- Al B O4 Pb -","- Al4 B4 O16 Pb4 -","4","0.5","","Park Hyun-Soo; Barbier, J.; Hammond, R.P.","Crystal structure and polymorphism of Pb Al B O4","Solid State Sciences","2003","5","","565","571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533962","7.0423","","9.8989","","9.4281","","90","","90","","90","","657.243","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Pb (Al B O4)","","- Al B O4 Pb -","- Al B O4 Pb -","- Al8 B8 O32 Pb8 -","8","1","","Park Hyun-Soo; Barbier, J.; Hammond, R.P.","Crystal structure and polymorphism of Pb Al B O4","Solid State Sciences","2003","5","","565","571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533985","3.7816","","13.566","","16.207","","90","","90","","90","","831.438","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na (Cu Hf2 Se5)","","- Cu Hf2 Na Se5 -","- Cu Hf2 Na Se5 -","- Cu4 Hf8 Na4 Se20 -","4","0.25","","Kolb, A.; Klepp, K.O.","Quaternary chalcogenides of the IVa metals with layered structures:preparation and crystal structure of Na Cu Hf2 Se5","Solid State Sciences","2003","5","","1027","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534021","10.0651","","15.8856","","20.1714","","90","","90","","90","","3225.21","","","","","","","","","","","","","6","P n a m","-P 2c 2n","62","","Cs4 (S8 (Re (N3))6) (H2 O)","","- Cs4 H2 N18 O Re6 S8 -","- Cs4.024 N18 O Re6 S8 -","- Cs16.096 N72 O4 Re24 S32 -","4","0.5","","Pilet, G.; Golhen, S.; Cordier, S.; Perrin, A.; Ouahab, L.; Perrin, C.","Syntheses and structures of two new M6 L(i)8 (N3)(a)6 cluster unit based compounds: Cs4 Re6 S8 (N3)6 * (H2 O) and Na2 Mo6 Br8 (N3)6 * 2(H2 O)","Solid State Sciences","2003","5","","1263","1270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534022","11.5643","","14.3959","","17.034","","90","","90","","90","","2835.79","","","","","","","","","","","","","6","I b a m","-I 2 2c","72","","Na2 (Br8 (Mo (N3))6) (H2 O)2","","- Br8 H4 Mo6 N18 Na2 O2 -","- Br8 Mo6 N18 Na2 O2 -","- Br32 Mo24 N72 Na8 O8 -","4","0.25","","Pilet, G.; Cordier, S.; Ouahab, L.; Golhen, S.; Perrin, C.; Perrin, A.","Syntheses and structures of two new M6 L(i)8 (N3)(a)6 cluster unit based compounds: Cs4 Re6 S8 (N3)6 * (H2 O) and Na2 Mo6 Br8 (N3)6 * 2(H2 O)","Solid State Sciences","2003","5","","1263","1270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534033","5.3455","","5.8297","","8.2652","","108.267","","100.566","","104.121","","227.558","","","","","","","","","","","","","4","P -1","-P 1","2","","Li2 ((U O2) (Mo O4)2)","","- Li2 Mo2 O10 U -","- Li2 Mo2 O10 U -","- Li2 Mo2 O10 U -","1","0.5","","Krivovichev, S.V.; Burns, P.C.","Synthesis and crystal structure of Li2 ((U O2) (Mo O4)2), a uranyl molybdate with chains of corner-sharing uranyl square bipyramids and Mo O4 tetrahedra","Solid State Sciences","2003","5","","481","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534035","6.6484","","7.5308","","8.4869","","89.952","","86.19","","73.299","","406.022","","","","","","","","","","","","","4","P -1","-P 1","2","","Na2 ((U O2) W2 O8)","","- Na2 O10 U W2 -","- Na2 O10 U W2 -","- Na4 O20 U2 W4 -","2","1","","Krivovichev, S.V.; Burns, P.C.","A novel rigid uranyl tungstate sheet in the structures of Na2 ((U O2) W2 O8) and alpha- and beta-(Ag2 ((U O2) W2 O8))","Solid State Sciences","2003","5","","373","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534267","8.64","","5.78","","13.78","","90","","119.5","","90","","598.946","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Cd (S C (N H (N H2))2)2) Cl2","","- C2 H12 Cd Cl2 N8 S2 -","- C2 Cd Cl2 N8 S2 -","- C4 Cd2 Cl4 N16 S4 -","2","0.5","","Bigoli, F.; Manotti Lanfredi, A.M.; Braibanti, A.; Tiripicchio, A.; Tiripicchio Camellini, M.","The crystal and molecular structure of bis(thiocarbohydrazide-N,S)cadmium dichloride","Inorganica Chimica Acta","1971","5","","392","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534481","9.503","","9.503","","9.503","","90","","90","","90","","858.188","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Hg2 N)2 S O4 H2 O","","- Hg4 N2 O4 S -","- Hg4 N2 O4 S -","- Hg16 N8 O16 S4 -","4","0.0416667","","Airoldi, R.; Magnano, G.","Sulla struttura del solfato (di)mercurioammonico","Rassegna Chimica","1967","5","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534840","13.849","","17.647","","15.9","","90","","106.81","","90","","3719.81","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rb4 (Ta4 P4 S24)","","- P4 Rb4 S24 Ta4 -","- P4 Rb4 S24 Ta4 -","- P16 Rb16 S96 Ta16 -","4","1","","Gutzmann, A.; Bensch, W.","Synthesis, crystal structure and optical properties of the new layered quaternary tantalum thiophosphate Rb4 Ta4 P4 S24 based on the interconnection of Ta2 S11 units by P S4 tetrahedra","Solid State Sciences","2003","5","","1271","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534862","10.83","","10.83","","7.855","","90","","90","","120","","797.873","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba5 F (Re O5)3","","- Ba5 F O15 Re3 -","- Ba5 F O15 Re3 -","- Ba10 F2 O30 Re6 -","2","0.166667","","Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G.","Comparative d'apatites contenant l'ion (Re O5)3-. Structure des fluoro et carbonatoapatites","Annales de Chimie (Paris)","1980","5","","575","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534866","10.938","","10.938","","7.788","","90","","90","","120","","806.924","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba5 (Re O5)3 (C O3)0.5","","- C0.5 Ba5 O15 Re3 -","- C0.5 Ba5 O15 Re3 -","- C Ba10 O30 Re6 -","2","0.166667","","Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G.","Comparative d'apatites contenant l'ion (re O5)(3-). Structure des fluoro et carbonatoapatites","Annales de Chimie (Paris)","1980","5","","575","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535053","20.426","","4.0924","","10.845","","90","","101.93","","90","","886.968","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Cu (Sb Te O3) Cl2","","- Cl2 Cu O3 Sb Te -","- Cl2 Cu0.998667 O3 Sb Te -","- Cl12 Cu5.992 O18 Sb6 Te6 -","6","0.75","","Becker, R.; Johnsson, M.; Kremer, R.; Lemmens, P.","Crystal structure, magnetic properties and conductivity of Cu Sb Te O3 Cl2","Solid State Sciences","2003","5","","1411","1416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535162","12.3966","","12.7069","","6.8904","","90","","113.574","","90","","994.81","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ag Mn3 (As O4) (H As O4)2","","- Ag As3 H2 Mn3 O12 -","- Ag As3 H2 Mn3 O12 -","- Ag4 As12 H8 Mn12 O48 -","4","0.5","","Stock, N.; Bein, T.","High-throughput investigation in the synthesis of the alluaudite-type manganese arsenate: Ag Mn3 (As O4) (H As O4)2","Solid State Sciences","2003","5","","1207","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535169","6.9193","","6.9193","","8.7458","","90","","90","","90","","418.72","","","","","","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","","","- K Pr Te4 -","- K Pr Te4 -","- K2 Pr2 Te8 -","2","0.125","","Stoewe, K.","Syntheses and crystal structures of K Pr Te4, K Gd Te4 and Rb Gd Te4","Solid State Sciences","2003","5","","765","769","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535171","6.843","","6.843","","8.6756","","90","","90","","90","","406.249","","","","","","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","K Gd Te4","","- Gd K Te4 -","- Gd K Te4 -","- Gd2 K2 Te8 -","2","0.125","","Stoewe, K.","Syntheses and crystal structures of K Pr Te4, K Gd Te4 and Rb Gd Te4","Solid State Sciences","2003","5","","765","769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535173","6.8593","","6.8593","","9.0011","","90","","90","","90","","423.502","","","","","","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","Rb Gd Te4","","- Gd Rb Te4 -","- Gd Rb Te4 -","- Gd2 Rb2 Te8 -","2","0.125","","Stoewe, K.","Syntheses and crystal structures of K Pr Te4, K Gd Te4 and Rb Gd Te4","Solid State Sciences","2003","5","","765","769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535262","10.1601","","19.8834","","7.4362","","90","","90","","90","","1502.24","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(N H4)3 ((Ta2 (N H)3 Cl6) Cl)","","- Cl7 H15 N6 Ta2 -","- Cl7 H15 N6 Ta2 -","- Cl28 H60 N24 Ta8 -","4","0.25","","Subramanya Herle, P.; Straehle, J.","Synthesis and structure of a new compound (N H4)3 ((Ta2 (N H)3 Cl6) Cl), with a novel imido-bridged chain: (1-infty)(Ta2 (N H)3 Cl6)(2-)","Solid State Sciences","2003","5","","183","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535413","18.128","","18.128","","18.128","","90","","90","","90","","5957.3","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Pt4.71 Zn20.85 -","- Pt4.731 Zn20.888 -","- Pt75.696 Zn334.208 -","16","0.166667","","Thimmaiah, S.; Richter, K.W.; Lee, S.; Harbrecht, B.","gamma1-Pt5Zn21 - a reappraisal of a gamma-brass type complex alloy phase","Solid State Sciences","2003","5","","1309","1317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535415","18.091","","18.091","","18.091","","90","","90","","90","","5920.9","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Pt5.12 Zn20.47 -","- Pt5.12 Zn20.479 -","- Pt81.92 Zn327.664 -","16","0.166667","","Thimmaiah, S.; Richter, K.W.; Harbrecht, B.; Lee, S.","gamma1-Pt5Zn21 - a reappraisal of a gamma-brass type complex alloy phase","Solid State Sciences","2003","5","","1309","1317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535418","18.1401","","18.1401","","18.1401","","90","","90","","90","","5969.24","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Pt4.25 Zn20.33 -","- Pt4.2605 Zn20.3305 -","- Pt68.168 Zn325.288 -","16","0.166667","","Thimmaiah, S.; Richter, K.W.; Lee, S.; Harbrecht, B.","gamma1-Pt5Zn21 - a reappraisal of a gamma-brass type complex alloy phase","Solid State Sciences","2003","5","","1309","1317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535518","5.328","","9.224","","10.247","","90","","100.01","","90","","495.928","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(K1.81 Na0.12 Ba0.07) (Mg3.33 Fe2.05 Al0.26 Ti0.36) (Al2.75 Si5.25 O20) O1.74 (O H)2.26","","- Al3.01 Ba0.07 Fe2.05 H2.26 K1.81 Mg3.33 Na0.12 O24 Si5.25 Ti0.36 -","- Al3.002 Ba0.07 Fe2.07 K1.81 Mg3.33 Na0.12 O24 Si5.248 Ti0.35 -","- Al3.002 Ba0.07 Fe2.07 K1.81 Mg3.33 Na0.12 O24 Si5.248 Ti0.35 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535521","5.333","","9.241","","10.18","","90","","100.1","","90","","493.919","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","(K1.77 Ba0.23) (Mg3.16 Fe2.01 Al0.49 Ti0.34) (Al2.83 Si5.17 O20) O1.05 (O H)2.95","","- Al3.32 Ba0.23 Fe2.01 H2.95 K1.77 Mg3.16 O24 Si5.17 Ti0.34 -","- Al3.332 Ba0.23 Fe2.03 K1.77 Mg3.14 O24 Si5.168 Ti0.33 -","- Al3.332 Ba0.23 Fe2.03 K1.77 Mg3.14 O24 Si5.168 Ti0.33 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535525","5.318","","9.214","","10.164","","90","","100.11","","90","","490.303","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","(K0.82 Na0.08 Ba1.1) (Mg5.07 Fe0.54 Al0.33 Ti0.06) (Al3.68 Si4.32 O19.86) F1.44 (O H)2.7","","- Al4.01 Ba1.1 F1.44 Fe0.54 H2.7 K0.82 Mg5.07 Na0.08 O22.56 Si4.32 Ti0.06 -","- Al4.01 Ba1.1 F1.44 Fe0.54 K0.82 Mg5.07 Na0.08 O22.56 Si4.32 Ti0.06 -","- Al4.01 Ba1.1 F1.44 Fe0.54 K0.82 Mg5.07 Na0.08 O22.56 Si4.32 Ti0.06 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535529","5.32","","9.207","","10.1","","90","","100.24","","90","","486.831","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","(K1.88 Na0.12) (Mg4.67 Fe0.5 Ti0.83) (Al2.12 Si5.88 O20) O2 F2","","- Al2.12 F2 Fe0.5 K1.88 Mg4.67 Na0.12 O22 Si5.88 Ti0.83 -","- Al2.12 F2 Fe0.496 K1.88 Mg4.67 Na0.12 O22 Si5.88 Ti0.834 -","- Al2.12 F2 Fe0.496 K1.88 Mg4.67 Na0.12 O22 Si5.88 Ti0.834 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","162929","2020-10-21","18:00:00",""
"1535532","5.331","","9.23","","10.16","","90","","100.19","","90","","492.039","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(K1.8 Na0.15 Ba0.05) (Mg3.26 Fe2 Ti0.74) (Al2.5 Si5.5 O20) O1.85 (O H)2.15","","- Al2.5 Ba0.05 Fe2 H2.15 K1.8 Mg3.26 Na0.15 O24 Si5.5 Ti0.74 -","- Al2.48 Ba0.05 Fe2 K1.8 Mg3.26 Na0.15 O24 Si5.52 Ti0.74 -","- Al2.48 Ba0.05 Fe2 K1.8 Mg3.26 Na0.15 O24 Si5.52 Ti0.74 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535534","5.323","","9.219","","10.219","","90","","100.03","","90","","493.81","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(K1.78 Na0.14 Ba0.08) (Mg2.21 Fe1.65 Al1.86 Ti0.28) (Al2.64 Si5.36 O20) O2.7 (O H)1.3","","- Al4.5 Ba0.08 Fe1.65 H1.3 K1.78 Mg2.21 Na0.14 O24 Si5.36 Ti0.28 -","- Al4.48 Ba0.08 Fe1.66 K1.78 Mg2.22 Na0.14 O24 Si5.36 Ti0.28 -","- Al4.48 Ba0.08 Fe1.66 K1.78 Mg2.22 Na0.14 O24 Si5.36 Ti0.28 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535536","5.33","","9.245","","10.192","","90","","100.35","","90","","494.048","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(K1.71 Na0.22 Ba0.07) (Mg3.4 Fe1.5 Ti0.98) (Al1.5 Si6.5 O20) O2.28 (O H)1.72","","- Al1.5 Ba0.07 Fe1.5 H1.72 K1.71 Mg3.4 Na0.22 O24 Si6.5 Ti0.98 -","- Al1.52 Ba0.07 Fe1.5 K1.71 Mg3.4 Na0.22 O24 Si6.48 Ti0.98 -","- Al1.52 Ba0.07 Fe1.5 K1.71 Mg3.4 Na0.22 O24 Si6.48 Ti0.98 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535539","5.328","","9.219","","10.233","","90","","99.88","","90","","495.179","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(K1.77 Na0.16 Ba0.07) (Mg2.94 Fe1.79 Al0.98 Ti0.28) (Al2.7 Si5.3 O20) O1.12 (O H)2.88","","- Al3.68 Ba0.07 Fe1.79 H2.88 K1.77 Mg2.94 Na0.16 O24 Si5.3 Ti0.28 -","- Al3.7 Ba0.07 Fe1.8 K1.77 Mg2.94 Na0.16 O24 Si5.28 Ti0.28 -","- Al3.7 Ba0.07 Fe1.8 K1.77 Mg2.94 Na0.16 O24 Si5.28 Ti0.28 -","1","0.125","","Brigatti, M.F.; Poppi, L.","Crystal chemistry of a Ba-rich trioctahedral micas-1M","European Journal of Mineralogy (1,1989-)","1993","5","","856","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535784","6.79","","17.581","","7.735","","90","","94.5","","90","","920.519","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ba2 (Al4 Si12 O32) (H2 O)9.76","","- Al4 Ba2 H19.52 O41.76 Si12 -","- Al4 Ba2 O41.76 Si12 -","- Al4 Ba2 O41.76 Si12 -","1","0.25","","Cabellal, R.; Lucchetti, G.; Palenzona, A.; Quartieri, S.; Vezzalini, G.","First occurence of a Ba-dominant brewsterite: structural features","European Journal of Mineralogy (1,1989-)","1993","5","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536089","21.136","","21.136","","21.136","","90","","90","","90","","9442.1","","","","","","","","","","","","","2","F d -3 c :2","-F 4ud 2vw 3","228","","Te7 (Te2.52 Si5.48) Si12","","- Si17.48 Te9.52 -","- Si17.48 Te9.52 -","- Si279.68 Te152.32 -","16","0.0833333","","Jaussaud, N.; Pouchard, M.; Cros, C.; Goglio, G.; Ammar, A.; Weill, F.; Gravereau, P.","High pressure synthesis and structure of a novel clathrate-type compound: Te7+x Si20-x (x = 2.5)","Solid State Sciences","2003","5","","1193","1200","","","","","","","","","","","","","","","","","","","","","","has coordinates","163684","2020-10-21","18:00:00",""
"1536231","9.299","","9.443","","14.48","","96.55","","101.42","","115.32","","1097.88","","","","","","","","","","","","","3","P -1","-P 1","2","","Na (Br8 (Mo Br)4 (Mo2 Br))","","- Br13 Mo6 Na -","- Br13 Mo6 Na -","- Br26 Mo12 Na2 -","2","1","","Wang, P.; Xu, W.; Zheng, Y.-Q.","New catenary octahedro-hexamolybdenum cluster bromides: crystal structures of A Mo6 Br13 with A = Na, Ag","Solid State Sciences","2003","5","","573","578","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536234","10.1897","","15.5389","","7.4512","","90","","90","","90","","1179.8","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Cu Zn (Te O3) Cl2","","- Cl2 Cu O3 Te Zn -","- Cl2 Cu O3 Te Zn -","- Cl16 Cu8 O24 Te8 Zn8 -","8","1","","Johnsson, M.; Tornroos, K.W.","Synthesis and crystal structure of the layered compound Cu Zn (Te O3) Cl2","Solid State Sciences","2003","5","","263","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536269","11.86","","11.86","","9.58","","90","","90","","120","","1166.99","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ge2 (H2 P O2)6","","- Ge2 H12 O12 P6 -","- Ge2 O12 P6 -","- Ge6 O36 P18 -","3","0.166667","","Weakley, T.J.R.","The Crystal Structure of Germanium(II,IV) Phosphinate","Journal of the Chemical Society of Pakistan","1983","5","","279","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536431","10.2073","","10.2073","","7.7401","","90","","90","","120","","698.392","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Ba5 Cu0.3 (P O4)3 (O H)0.12 O0.74","","- Ba5 Cu0.3 H0.12 O12.86 P3 -","- Ba5 Cu0.304 O12.86 P3 -","- Ba10 Cu0.608 O25.72 P6 -","2","0.166667","","Karpov, A.S.; Nuss, J.; Jansen, M.; Kazin, P.E.; Tret'yakov, Yu.D.","Synthesis, crystal structure and properties of calcium and barium hydroxyapatites containing copper ions in hexagonal channels","Solid State Sciences","2003","5","","1277","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536438","7.387","","8.104","","10.184","","90","","90","","90","","609.658","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4) (S O3 N (O) N O)","","- H4 N3 O5 S -","- H4 N3 O5 S -","- H16 N12 O20 S4 -","4","0.5","","Keefer, L. K.; Flippen-Anderson, J. L.; George, C.; Shanklin A. P.; Dunams, T. M.; Christodoulou, D.; Saavedra, J. E.; Sagan, E. S.; Bohle, D. S.","Chemistry of the Diazeniumdiolates I. Structural and Spectral Characteristics of the [N(O)NO]^-^ Functional Group","Nitric Oxide","2001","5","4","377","394","10.1006/niox.2001.0359","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536452","7.195","","7.195","","4.19","","90","","90","","90","","216.908","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","K2 (Pd Br1.43 Cl2.57)","","- Br1.43 Cl2.57 K2 Pd -","- Br1.424 Cl2.576 K2 Pd -","- Br1.424 Cl2.576 K2 Pd -","1","0.0625","","Welter, R.; Vangelisti, R.; Omrani, H.","Synthese et analyse radiocristallographique de la solution solide K2 Pd Cl4-x Brx (0 < x < 4)","Comptes Rendus Chimie","2002","5","","525","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536456","7.26","","7.26","","4.227","","90","","90","","90","","222.795","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","K2 (Pd Br2.31 Cl1.69)","","- Br2.31 Cl1.69 K2 Pd -","- Br2.304 Cl1.696 K2 Pd -","- Br2.304 Cl1.696 K2 Pd -","1","0.0625","","Welter, R.; Vangelisti, R.; Omrani, H.","Synthese et analyse radiocristallographique de la solution solide K2 Pd Cl4-x Brx (0 < x < 4)","Comptes Rendus Chimie","2002","5","","525","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536503","6.3002","","13.9886","","6.517","","90","","90","","90","","574.35","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K2 (Te O F4)","","- F4 K2 O Te -","- F4 K2 O Te -","- F16 K8 O4 Te4 -","4","0.25","","Kessler, U.; Paulmann, C.; Friese, K.; Jansen, M.","The commensurately modulated structure of K2 Te O F4","Solid State Sciences","2003","5","","249","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536699","17.53589","","11.30444","","5.86555","","90","","90","","90","","1162.75","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 (P S2 O2)","","- Na3 O2 P S2 -","- Na3 O2 P S2 -","- Na24 O16 P8 S16 -","8","1","","Pompetzki, M.; Dinnebier, R.E.; Jansen, M.","Sodium dithiophosphate(V): crystal structure, sodium ionic conductivity and dismutation","Solid State Sciences","2003","5","","1439","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536705","19.817","","19.817","","18.0559","","90","","90","","120","","6140.81","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr50 Sc12 O118","","- O118 Sc12 Zr50 -","- O118 Sc12.028 Zr49.972 -","- O354 Sc36.084 Zr149.916 -","3","0.166667","","Wurst, K.; Schweda, E.; Bevan, D.J.M.; Mohyla, J.; Hofmann, M.; Wallwork, K.S.","Single-crystal structure determination of Zr50 Sc12 O118","Solid State Sciences","2003","5","","1491","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","164530","2020-10-21","18:00:00",""
"1536908","6.6546","","6.5422","","10.8998","","90","","103.842","","90","","460.75","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mn Se O3 (H2 O)2","","- H4 Mn O5 Se -","- Mn O5 Se -","- Mn4 O20 Se4 -","4","1","","Koskenlinna, M.; Niinisto, L.; Valkonen, J.","Manganese selenite dihydrate, Mn Se O3 (H2 O)2","Crystal Structure Communications","1976","5","","663","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537010","5.5","","16.24","","5.49","","90","","90","","90","","490.367","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","","","Zemann, J.","Die Kristallstruktur von Koechlinit, Bi2 Mo O6","Beitraege zur Mineralogie und Petrographie (-11,1965)","1956","5","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537049","10.271","","4.228","","10.103","","90","","116.64","","90","","392.156","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Yb2 Ir Ge2","","- Ge2 Ir Yb2 -","- Ge2 Ir Yb2 -","- Ge8 Ir4 Yb8 -","4","0.5","","Rodewald, U.C.; Poettgen, R.","Three-dimensional iridium-germanium polyanions in the structures of Yb2 Ir Ge2, Lu Ir Ge2 and Lu3 Ir2 Ge3","Solid State Sciences","2003","5","","487","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537052","6.681","","4.2015","","7.544","","90","","90","","90","","211.762","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Ir Ge","","- Ge Ir Lu -","- Ge Ir Lu -","- Ge4 Ir4 Lu4 -","4","0.5","","Rodewald, U.C.; Poettgen, R.","Three-dimensional iridium-germanium polyanions in the structures of Yb2 Ir Ge2, Lu Ir Ge2 and Lu3 Ir2 Ge3","Solid State Sciences","2003","5","","487","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537054","4.265","","10.191","","13.989","","90","","90","","90","","608.026","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Lu3 Ir2 Ge3","","- Ge3 Ir2 Lu3 -","- Ge3 Ir2 Lu3 -","- Ge12 Ir8 Lu12 -","4","0.25","","Rodewald, U.C.; Poettgen, R.","Three-dimensional iridium-germanium polyanions in the structures of Yb2 Ir Ge2, Lu Ir Ge2 and Lu3 Ir2 Ge3","Solid State Sciences","2003","5","","487","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","165030","2020-10-21","18:00:00",""
"1537598","10.741","","10.741","","10.377","","90","","90","","90","","1197.19","","","","","","","","","","","","","4","I 4/m","-I 4","87","","U3 (S O4)3 (O H)2 O2","","- H2 O16 S3 U3 -","- O16 S3 U3 -","- O64 S12 U12 -","4","0.25","","Lundgren, G.","The crystal structure of U6 O4 (O H)4 (S O4)6","Arkiv foer Kemi","1952","5","","349","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"1537649","3.5694","","3.5694","","3.5694","","90","","90","","90","","45.476","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ni4 Zn)0.8","","- Ni3.2 Zn0.8 -","- Ni3.2 Zn0.8 -","- Ni3.2 Zn0.8 -","1","0.00520833","","Anantatmula, R.P.; Bruce Masson, D.","Thermodynamic properties of solid Ni-Zn alloys by atomic absorption","Metallurgical Transactions","1974","5","","605","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","165949","2020-10-21","18:00:00",""
"1537725","4.071","","4.071","","4.071","","90","","90","","90","","67.469","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","V O","","- O V -","- O V -","- O4 V4 -","4","0.0208333","","Banus, M.D.; Reed, T.B.; Strauss, A.J.","The compounds Nb4 Fe Si, Nb4 Co Si, Nb4 Ni Si and their crystal structures","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1972","5","","2775","2784","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537758","2.752","","2.752","","4.385","","90","","90","","120","","28.761","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pt3 Tc7)0.2","","- Pt0.6 Tc1.4 -","- Pt0.6 Tc1.4 -","- Pt0.6 Tc1.4 -","1","0.0416667","","Darby, J.B.jr.; Norton, L.J.; Downey, J.W.","A survey of the binary systems of technetium with group VIII transition elements","Journal of the Less-Common Metals","1963","5","","397","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","166079","2020-10-21","18:00:00",""
"1537857","5.85","","5.85","","5.85","","90","","90","","90","","200.202","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- In P -","- In P -","- In4 P4 -","4","0.0416667","","Egorov, L.A.; Torbova, O.D.","Crystallization of solid solutions of In As1-x Px from the gas phase","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1969","5","","144","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537914","6.046","","6.046","","6.046","","90","","90","","90","","221.006","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Th Ge","","- Ge Th -","- Ge Th -","- Ge4 Th4 -","4","0.0208333","","Brown, A.; Norreys, J.J.","The system thorium-germanium","Journal of the Less-Common Metals","1963","5","","302","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537950","5.009","","5.009","","5.009","","90","","90","","90","","125.676","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ir Ti3 -","- Ir Ti3 -","- Ir2 Ti6 -","2","0.0416667","","Eremenko, V.N.; Shtepa, T.D.; Sirotenko, V.G.","Intermediate phases in alloys of titanium with iridium, rhodium, and osmium","Soviet Powder Metallurgy and Metal Ceramics","1966","5","","487","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538119","3.88","","3.88","","4.07","","90","","90","","120","","53.063","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Tm2 Ge3)0.5","","- Ge1.5 Tm -","- Ge1.5 Tm -","- Ge1.5 Tm -","1","0.0416667","","Gladyshevskii, E.I.","Crystal structure of the digermanide of rare earth elements","Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii)","1964","5","","523","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538328","9.93","","9.11","","5.26","","90","","105.18","","90","","459.229","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ca Mn (Si2 O6)","","- Ca Mn O6 Si2 -","- Ca Mn O6 Si2 -","- Ca4 Mn4 O24 Si8 -","4","0.5","","Morimoto, N.; Koto, K.; Shinohara, T.","Oriented transformation of johannsenite to bustamite","Mineralogical Journal (Japan)","1966","5","","44","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538557","4.148","","4.148","","7.354","","90","","90","","120","","109.58","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(La0.5 Ce0.5) F3","","- Ce0.5 F3 La0.5 -","- Ce0.5 F3 La0.5 -","- Ce F6 La -","2","0.0833333","","Schlyter, K.","On the crystal structure of fluorides of the tysonite La F3 type","Arkiv foer Kemi","1952","5","","73","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","167208","2020-10-21","18:00:00",""
"1538747","6.47","","6.47","","6.47","","90","","90","","90","","270.84","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","Niculescu, D.; Nistor, N.; Popa, M.; Ionescu, R.; Vantza, M.","Galvanomagnetic and thermoelectric properties of Hg Sx Te1-x solid solutions","Journal of Materials Science","1970","5","","385","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538861","4.28","","4.28","","3.42","","90","","90","","90","","62.649","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","(Mg9 Pd11)0.2","","- Mg1.8 Pd2.2 -","- Mg1.8 Pd2.2 -","- Mg1.8 Pd2.2 -","1","0.0625","","Kripyakevich, P.I.; Gladyshevskii, E.I.","Crystal structures of some compounds of palladium with magnesium","Soviet Physics, Crystallography (= Kristallografiya)","1960","5","","552","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","167557","2020-10-21","18:00:00",""
"1538877","9.966","","18.066","","5.279","","90","","104.41","","90","","920.56","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Na0.55 K0.36) (Na0.9 Ca0.92 Mn0.18) (Mg3.98 Fe0.2 Mn0.82) (Si8 O22) F0.36 (O H)1.64","","- Ca0.92 F0.36 Fe0.2 H1.64 K0.36 Mg3.98 Mn Na1.45 O23.64 Si8 -","- Ca0.92 F0.36 Fe0.2 H1.64 K0.36 Mg3.98 Mn Na1.45 O23.64 Si8 -","- Ca1.84 F0.72 Fe0.4 H3.28 K0.72 Mg7.96 Mn2 Na2.9 O47.28 Si16 -","2","0.25","","Oberti, R.; Ungaretti, L.; Hawthorne, F.C.; Cannillo, E.","The behaviour of Mn in amphiboles: Mn in richterite","European Journal of Mineralogy (1,1989-)","1993","5","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538912","5.912","","6.653","","3.196","","90","","90","","90","","125.707","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os Sb2 -","- Os Sb2 -","- Os2 Sb4 -","2","0.25","","Kuz'min, R.N.; Zhuravlev, N.N.; Losievskaya, S.A.","The atomic structures of Ru Sb2 and Os Sb2","Kristallografiya","1960","5","","218","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539030","7.7034","","7.7034","","7.7034","","90","","90","","90","","457.138","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- La Ru2 -","- La Ru2 -","- La8 Ru16 -","8","0.0416667","","Reiswig, R.D.; Gschneidner, K.A.jr.","Melting points of La Ru2, Ce Ru2, and Pr Ru2","Journal of the Less-Common Metals","1963","5","","432","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539039","6.3145","","6.3145","","6.3145","","90","","90","","90","","251.777","","","","","","","","","","","","","1","P 41 3 2","P 4bd 2ab 3","213","","","","- Mn -","- Mn -","- Mn20 -","20","0.833333","","Preston, G.D.","Crystal structure of beta-manganese","Philosophical Magazine, Serie 6 (1901-1925)","1928","5","","1207","1226","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539047","8.525","","8.525","","8.525","","90","","90","","90","","619.56","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Nd3 S4 -","- Nd3 S4 -","- Nd12 S16 -","4","0.0833333","","Provenzano, P.L.; White, W.B.","Characterization of vacancy disorder in Sr Nd2 S4 - Nd2 S3 solid solutions by Raman spectroscopy","Materials Letters","1986","5","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539049","8.592","","8.592","","8.592","","90","","90","","90","","634.283","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Nd5 Sr S8","","- Nd5 S8 Sr -","- Nd4.998 S8 Sr1.002 -","- Nd9.996 S16 Sr2.004 -","2","0.0416667","","Provenzano, P.L.; White, W.B.","Characterization of vacancy disorder in Sr Nd2 S4 - Nd2 S3 solid solutions by Raman spectroscopy","Materials Letters","1986","5","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539052","2.724","","2.724","","4.332","","90","","90","","120","","27.838","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Ru -","- Ru -","- Ru2 -","2","0.0833333","","Ross, R.G.; Hume-Rothery, W.","High temperature X-ray metallography I. A new debye-scherrer camera for use at very high temperatures II. A new parafocusing camera III. Applications to the study of chromium, hafnium, molybdenum, rhodium, ruthenium and tungsten","Journal of the Less-Common Metals","1963","5","","258","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539053","3.23","","3.23","","5.12","","90","","90","","120","","46.26","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Hf -","- Hf -","- Hf2 -","2","0.0833333","","Ross, R.G.; Hume-Rothery, W.","High temperature X-ray metallography I. A new debye-scherrer camera for use at very high temperatures II. A new parafocusing camera III. Applications to the study of chromium, hafnium, molybdenum, rhodium, ruthenium and tungsten","Journal of the Less-Common Metals","1963","5","","258","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539180","6.073","","6.073","","6.073","","90","","90","","90","","223.98","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Mn3 Pb17 Se20)0.2","","- Mn0.6 Pb3.4 Se4 -","- Mn0.6 Pb3.4 Se4 -","- Mn0.6 Pb3.4 Se4 -","1","0.00520833","","Vanyarkho, V.G.; Fokin, V.N.; Novoselova, A.V.; Zlomanov, V.P.","Investigation of the lead selenide - Manganese selenide system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1969","5","","1440","1443","","","","","","","","","","","","","","","","","","","","","","has coordinates","168012","2020-10-21","18:00:00",""
"1539214","5.56","","5.56","","5.56","","90","","90","","90","","171.88","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Hg Zr3 -","- Hg Zr3 -","- Hg2 Zr6 -","2","0.0416667","","Vielhaber, E.; Luo, H.L.","New A-15 phases","Solid State Communications","1967","5","","221","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539295","6.413","","6.413","","6.413","","90","","90","","90","","263.745","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn Pd2 Sb -","- Mn Pd2 Sb -","- Mn4 Pd8 Sb4 -","4","0.0208333","","Webster, P.J.; Ramadan, M.R.I.","Magnetic order in palladium-based Heusler alloys Part I: Pd2 Mn In1-x Snx and Pd2 Mn Sn1-x Sbx","Journal of Magnetism and Magnetic Materials","1977","5","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539378","6.044","","6.044","","6.044","","90","","90","","90","","220.787","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Se -","- La Se -","- La4 Se4 -","4","0.0208333","","Yarembash, E.I.; Vigileva, E.S.; Kravchenko, L.Kh.; Kagramanova, R.R.","Phase diagram of the La-Se system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1969","5","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539380","9.048","","9.048","","9.048","","90","","90","","90","","740.726","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- La3 Se4 -","- La3 Se4 -","- La12 Se16 -","4","0.0833333","","Yarembash, E.I.; Vigileva, E.S.; Kagramanova, R.R.; Kravchenko, L.Kh.","Phase diagram of the La-Se system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1969","5","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539518","13.616","","18.238","","17.835","","90","","90","","90","","4428.94","","","","","","","","","","","","","6","F m m m","-F 2 2","69","","Na0.72 Ca4 (Al10 Si26 O72) (H2 O)29.12","","- Al10 Ca4 H58.24 Na0.72 O101.12 Si26 -","- Al10.0008 Ca4 Na0.72 O101.12 Si25.9992 -","- Al20.0016 Ca8 Na1.44 O202.24 Si51.9984 -","2","0.0625","","Akizuki, M.; Kudoh, Y.; Satoh, Y.","Crystal structure of the orthorhombic (001) growth sector of stilbite","European Journal of Mineralogy (1,1989-)","1993","5","","839","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539586","12.5275","","12.9593","","6.5763","","90","","115.34","","90","","964.922","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na Cd In2 (P O4)3","","- Cd0.956 In1.978 Na0.94 O12 P3 -","- Cd0.956 In1.978 Na0.94 O12 P3 -","- Cd3.824 In7.912 Na3.76 O48 P12 -","4","0.5","","Antenucci, D.; Tarte, P.; Miehe, G.; Schmahl, W.W.; Fransolet, A.M.","Combined x-ray Rietveld, infrared and raman study of a new synthetic variety of alluaudite, NaCdIn2(PO4)3","European Journal of Mineralogy (1,1989-)","1993","5","","207","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","168538","2020-10-21","18:00:00",""
"1539601","11.476","","11.476","","11.476","","90","","90","","90","","1511.37","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Mg3 Fe2 (Si O4)3","","- Fe2 Mg3 O12 Si3 -","- Fe2 Mg3 O12 Si3 -","- Fe16 Mg24 O96 Si24 -","8","0.0833333","","Armbruster, T.; Geiger, C.A.","Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets","European Journal of Mineralogy (1,1989-)","1993","5","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","168557","2020-10-21","18:00:00",""
"1539609","14.51","","5.558","","5.173","","90","","90","","90","","417.185","","","","","","","","","","","","","8","P b c n","-P 2n 2ab","60","","(U0.46 Y0.42 Th0.06 Mn0.06) (Ta0.16 Ti0.96 Nb0.84) O6","","- Mn0.06 Nb0.84 O6 Ta0.16 Th0.06 Ti0.96 U0.46 Y0.42 -","- Mn0.06 Nb0.84 O6 Ta0.16 Th0.06 Ti0.96 U0.46 Y0.42 -","- Mn0.24 Nb3.36 O24 Ta0.64 Th0.24 Ti3.84 U1.84 Y1.68 -","4","0.5","","Aurisicchio, C.; Orlandi, P.; Pasero, M.; Perchiazzi, N.","Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), a new mineral from Elba Island, Italy, and its crystal structure","European Journal of Mineralogy (1,1989-)","1993","5","","1161","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","168567","2020-10-21","18:00:00",""
"1539826","12.24","","12.24","","4.925","","90","","90","","120","","638.998","","","","","","","","","","","","","9","P 63","P 6c","173","","(Mg.49 Fe.03 Ti.6 Zr.02) Mg6 Al6 (Si7.95 P.05 O28) (O H)9.57 O.43","","- Al6 Fe0.03 H9.57 Mg6.49 O38 P0.05 Si7.95 Ti0.6 Zr0.02 -","- Al6 Fe0.03 Mg6.49 O38 P0.0496 Si7.9504 Ti0.6 Zr0.02 -","- Al6 Fe0.03 Mg6.49 O38 P0.0496 Si7.9504 Ti0.6 Zr0.02 -","1","0.166667","","Comodi, P.; Zanazzi, P.F.","Structural study of ellenbergerite. Part II: Effects of high pressure","European Journal of Mineralogy (1,1989-)","1993","5","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540224","12.24","","12.24","","12.24","","90","","90","","90","","1833.77","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Sr Zn13 -","- Sr Zn13 -","- Sr8 Zn104 -","8","0.0416667","","Ketelaar, J.","The crystal structure of alloys of zinc with the alkali and alkaline earth metals and of cadmium with potassium","Journal of Chemical Physics","1937","5","","668","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540410","15.5132","0.0016","20.762","0.002","24.831","0.003","106.288","0.004","103.085","0.005","105.827","0.004","6977.1","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H120 Gd7 N11 O24 -","- C142 H120 Gd7 N11 O24 -","- C284 H240 Gd14 N22 O48 -","2","1","","Mazarakioti, Eleni C.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.","New structural topologies in 4f-metal cluster chemistry from vertex-sharing butterfly units: {LnIII7} complexes exhibiting slow magnetization relaxation and ligand-centred emissions","RSC Advances","2015","5","112","92534","92538","10.1039/C5RA20454B","","","0.71073","MoKα","","0.0864","0.0652","","","0.1398","0.1489","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540411","9.7936","0.0007","10.0349","0.0004","10.3079","0.0006","110.403","0.005","101.163","0.006","102.888","0.005","883.8","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Dandia, Anshu; Sharma, Amit; Parewa, Vijay; Kumawat, Begraj; Rathore, Kuldeep S.; Sharma, Amit","Amidic C–N bond cleavage of isatin: chemoselective synthesis of pyrrolo[2,3,4- <i>kl</i> ]acridin-1-ones using Ag NPs decorated rGO composite as an efficient and recoverable catalyst under microwave irradiation","RSC Advances","2015","5","111","91888","91902","10.1039/C5RA11747J","","","0.71073","MoKα","","0.0494","0.0425","","","0.1143","0.1195","","","","","","1.081","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540412","8.7794","0.0003","14.6701","0.0004","37.5122","0.001","90","","90","","90","","4831.4","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 Se -","- C29 H24 N2 O2 Se -","- C232 H192 N16 O16 Se8 -","8","2","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0453","0.035","","","0.0679","0.0708","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540413","8.6504","0.0003","9.7776","0.0004","16.3783","0.0006","90","","98.688","0.002","90","","1369.38","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O3 Se -","- C31 H28 N2 O3 Se -","- C62 H56 N4 O6 Se2 -","2","1","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0392","0.0304","","","0.0683","0.073","","","","","","1.082","","","","has coordinates,has disorder","282777","2023-04-20","11:56:44",""
"1540414","11.244","0.002","7.6728","0.0014","12.837","0.002","90","","98.983","0.004","90","","1093.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O2 S Se -","- C22 H23 Br N2 O2 S Se -","- C44 H46 Br2 N4 O4 S2 Se2 -","2","1","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0201","0.0177","","","0.0381","0.0386","","","","","","1.004","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540415","14.8679","0.0009","10.004","0.0006","18.5854","0.0011","90","","98.871","0.002","90","","2731.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N Se -","- C16 H15 N Se -","- C128 H120 N8 Se8 -","8","2","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0409","0.0272","","","0.0575","0.0615","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540501","12.757","0.006","19.268","0.009","6.503","0.003","90","","90","","90","","1598.4","1.3","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Strontium gallium arsenide (3/1/3)","Strontium gallium arsenide (3/1/3)","","- As3 Ga Sr3 -","- As3 Ga Sr3 -","- As24 Ga8 Sr24 -","8","1","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0506","0.0274","","","0.0371","0.0431","","","","","","1.047","","","","has coordinates","170120","2020-10-21","18:00:00",""
"1540502","19.854","0.003","6.8636","0.0009","13.2849","0.0017","90","","90","","90","","1810.3","0.4","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Barium aluminium arsenide (3/1/3)","Barium aluminium arsenide (3/1/3)","","- Al As3 Ba3 -","- Al As3 Ba3 -","- Al8 As24 Ba24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0207","0.0168","","","0.035","0.0358","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540503","13.3589","0.001","19.9788","0.0015","6.8008","0.0005","90","","90","","90","","1815.1","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium gallium arsenide (3/1/3)","Barium gallium arsenide (3/1/3)","","- As3 Ba3 Ga -","- As3 Ba3 Ga -","- As24 Ba24 Ga8 -","8","1","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0205","0.0159","","","0.0296","0.0314","","","","","","1.114","","","","has coordinates","170122","2020-10-21","18:00:00",""
"1540504","19.3572","0.0014","6.7433","0.0005","12.9707","0.001","90","","90","","90","","1693.1","0.2","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Barium aluminum phosphide (3/1/3)","Barium aluminum phosphide (3/1/3)","","- Al Ba3 P3 -","- Al Ba3 P3 -","- Al8 Ba24 P24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0293","0.0227","","","0.0441","0.0463","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540505","18.787","0.003","6.3867","0.0012","12.403","0.002","90","","90","","90","","1488.2","0.4","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Strontium gallium phosphide (3/1/3)","Strontium gallium phosphide (3/1/3)","","- Ga P3 Sr3 -","- Ga P3 Sr3 -","- Ga8 P24 Sr24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0886","0.0742","","","0.2392","0.2451","","","","","","1.789","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540506","19.149","0.002","6.5652","0.0008","12.6871","0.0015","90","","90","","90","","1595","0.3","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Strontium aluminium arsenide (3/1/3)","Strontium aluminium arsenide (3/1/3)","","- Al As3 Sr3 -","- Al As3 Sr3 -","- Al8 As24 Sr24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.032","0.0228","","","0.0378","0.0411","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540507","10.6473","0.0004","5.2855","0.0002","17.0313","0.0007","90","","106.099","0.001","90","","920.87","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 O2 -","- C9 H16 O2 -","- C36 H64 O8 -","4","1","","Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian","Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid","Crystals","2015","5","4","466","","10.3390/cryst5040466","","","0.71073","MoKα","","0.0421","0.0366","","","0.0991","0.1044","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540508","4.1405","0.0002","15.2839","0.0006","17.7089","0.0007","68.3291","0.0011","83.385","0.0013","85.0779","0.0012","1033.39","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","2","","Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian","Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid","Crystals","2015","5","4","466","","10.3390/cryst5040466","","","0.71073","MoKα","","0.0619","0.0442","","","0.1107","0.1224","","","","","","1.057","","","","has coordinates","170127","2020-10-21","18:00:00",""
"1540509","16.355","0.003","17.478","0.004","5.4549","0.0011","90","","90","","90","","1559.3","0.6","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H26 Ca N4 O14 S2 -","- C24 H26 Ca N4 O14 S2 -","- C48 H52 Ca2 N8 O28 S4 -","2","0.5","","Tai, Xi-Shi; Wang, Xin","Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Constructed from Ca2+ and 2-[(E)-(2-Furoylhydrazono)methyl]benzenesulfonate","Crystals","2015","5","4","458","","10.3390/cryst5040458","","","0.71073","MoKα","","0.075","0.0703","","","0.1848","0.1884","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540626","10.0435","0.0008","10.3143","0.0008","12.8862","0.0011","74.5019","0.0014","87.313","0.0014","78.6415","0.0014","1261.15","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","1","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.6861","synchrotron","","0.0381","0.0376","","","0.0934","0.0938","","","","","","1.015","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540627","11.7691","0.0007","14.1045","0.0009","18.0657","0.0012","83.543","0.005","81.066","0.005","74.829","0.005","2851.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Cl2 Mo N2 O2 -","- C60 H82 Cl2 Mo N2 O2 -","- C120 H164 Cl4 Mo2 N4 O4 -","2","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0563","0.0401","","","0.0938","0.0968","","","","","","0.912","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540628","14.2727","0.0008","15.4944","0.0008","18.0242","0.001","90","","98.4505","0.001","90","","3942.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H106 F10 Mo2 N4 O4 -","- C80 H106 F10 Mo2 N4 O4 -","- C160 H212 F20 Mo4 N8 O8 -","2","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0853","0.0442","","","0.095","0.1097","","","","","","1.028","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540629","13.0178","0.0008","13.4853","0.0008","16.9177","0.001","106.113","0.001","96.4972","0.001","92.7062","0.001","2825.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H158 Mo2 N10 O8 -","- C114 H158 Mo2 N10 O8 -","- C114 H158 Mo2 N10 O8 -","1","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0643","0.0432","","","0.0969","0.1074","","","","","","1.035","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540630","40.815","0.003","17.0938","0.0011","16.3488","0.0011","90","","94.82","0.001","90","","11365.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H182 Mo2 N4 O4 -","- C112 H154 Mo2 N4 O4 -","- C448 H616 Mo8 N16 O16 -","4","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0619","0.0437","","","0.1154","0.1258","","","","","","1.024","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540631","18.7522","0.001","22.6704","0.0012","25.8469","0.0018","79.933","0.006","81.162","0.006","81.434","0.006","10605.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H140 F10 Mo2 N8 O8 -","- C99 H132.5 F10 Mo2 N5.5 O8 -","- C396 H530 F40 Mo8 N22 O32 -","4","2","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.1886","0.0839","","","0.1769","0.2123","","","","","","0.861","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540632","10.0491","0.001","10.6022","0.0011","15.6133","0.0019","92.902","0.009","90.577","0.009","112.932","0.008","1529.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl2 Mo N2 O2 -","- C28 H44 Cl2 Mo N2 O2 -","- C56 H88 Cl4 Mo2 N4 O4 -","2","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.1214","0.0626","","","0.1356","0.1556","","","","","","0.893","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540633","10.418","0.0011","14.7052","0.0015","17.8673","0.0018","90","","99.129","0.002","90","","2702.6","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Br N2 O7 S -","- C26 H31 Br N2 O7 S -","- C104 H124 Br4 N8 O28 S4 -","4","1","","Mizoguchi, Kenji; Sakamoto, Hirokazu","Role ofWater Molecules to the Electronic States of M-DNA","Crystals","2015","5","4","475","","10.3390/cryst5040475","","","0.71073","MoKα","","0.0419","0.0303","","","0.0696","0.0735","","","","","","1.055","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1540634","8.3812","0.0012","13.0305","0.0018","13.2656","0.0019","64.054","0.002","83.078","0.002","86.643","0.002","1293.2","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Br N2 O7 S -","- C26 H29 Br N2 O7 S -","- C52 H58 Br2 N4 O14 S2 -","2","1","","Mizoguchi, Kenji; Sakamoto, Hirokazu","Role ofWater Molecules to the Electronic States of M-DNA","Crystals","2015","5","4","475","","10.3390/cryst5040475","","","0.71073","MoKα","","0.0477","0.0337","","","0.0759","0.0804","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540635","15.9728","0.0012","14.008","0.001","22.8933","0.0017","90","","109.716","0.001","90","","4822","0.6","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Br2 N4 O10 S2 -","- C48 H54 Br2 N4 O10 S2 -","- C192 H216 Br8 N16 O40 S8 -","4","1","","Mizoguchi, Kenji; Sakamoto, Hirokazu","Role ofWater Molecules to the Electronic States of M-DNA","Crystals","2015","5","4","475","","10.3390/cryst5040475","","","0.71073","MoKα","","0.0507","0.0317","","","0.0715","0.0786","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540636","11.421","0.002","9.2213","0.0017","15.188","0.003","90","","106.112","0.003","90","","1536.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 Cu0 N4 O8 Zn -","- C32 H34 N4 O8 Zn -","- C64 H68 N8 O16 Zn2 -","2","1","","Tai, Xi-Shi; You, Hai-Ying","A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property","Crystals","2015","5","4","608","","10.3390/cryst5040608","","","0.71073","MoKα","","0.0711","0.0439","","","0.1013","0.1156","","","","","","1.005","","","","has coordinates,has disorder","170840","2020-10-21","18:00:00",""
"1540842","5.3655","","9.293","","10.198","","90","","100.47","","90","","500.022","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","K.99 (Fe1.92 Al1.08) (Al1.05 Si2.71 O10) (O H F)","","- Al2.13 F Fe1.92 H K0.99 O11 Si2.71 -","- Al2.134 F Fe1.92 K0.988 O11 Si2.71 -","- Al4.268 F2 Fe3.84 K1.976 O22 Si5.42 -","2","0.25","","Weiss, Z.; Rieder, M.; Smrcok, L.; Petricek, V.; Bailey, S.W.","Refinement of the crystal structure of two ""protolithionites""","European Journal of Mineralogy (1,1989-)","1993","5","","493","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540843","5.309","","5.309","","29.818","","90","","90","","120","","727.838","","","","","","","","","","","","","8","P 31 1 2","P 31 2 (0 0 4)","151","","K0.974 (Fe1.4 Li0.75 Al0.854) (Al0.96 Si3.04 O10) ((O H)0.94 F1.06)","","- Al1.814 F1.06 Fe1.4 H0.94 K0.974 Li0.75 O10.94 Si3.04 -","- Al1.814 F1.06 Fe1.398 K0.974 Li0.748 O10.94 Si3.04 -","- Al5.442 F3.18 Fe4.194 K2.922 Li2.244 O32.82 Si9.12 -","3","0.5","","Weiss, Z.; Rieder, M.; Smrcok, L.; Petricek, V.; Bailey, S.W.","Refinement of the crystal structure of two ""protolithionites""","European Journal of Mineralogy (1,1989-)","1993","5","","493","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541003","14.863","","13.169","","7.537","","90","","110.18","","90","","1384.67","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ca4 (Al8 Si16 O48) (D2 O)22","","- Al8 Ca4 D30.88 O70 Si16 -","- Al8 Ca4 D30.88 O70 Si16 -","- Al8 Ca4 D30.88 O70 Si16 -","1","0.125","","Stahl, K.; Artioli, G.","A neutron powder diffraction study of fully deuterated laumontite","European Journal of Mineralogy (1,1989-)","1993","5","","851","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","172205","2020-10-21","18:00:00",""
"1541139","6.29","","6.29","","6.29","","90","","90","","90","","248.858","","","","","","","","","","","","","1","P 41 3 2","P 4bd 2ab 3","213","","","","- Mn -","- Mn -","- Mn20 -","20","0.833333","","Preston, G.D.","Crystal structure of beta-manganese","Philosophical Magazine, Serie 6 (1901-1925)","1928","5","","1207","1225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541180","7.434","","7.434","","21.793","","90","","90","","90","","1204.38","","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(Ca0.93 Y0.07) (Y0.9 Gd0.1) (C O3)2 (O H) (H2 O)","","- C2 H3 Ca0.93 Gd0.1 O8 Y0.97 -","- C2 Ca0.93 Gd0.1 O8 Y0.97 -","- C16 Ca7.44 Gd0.8 O64 Y7.76 -","8","1","","Romming, C.; Petricek, V.; Kocharian, A.K.; Raade, G.; Bailey, S.W.","The crystal structure of kamphaugite-(Y)","European Journal of Mineralogy (1,1989-)","1993","5","","685","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","172442","2020-10-21","18:00:00",""
"1541208","3.85","","3.85","","9.54","","90","","90","","90","","141.407","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Tl Ba2 Cu O5","","- Ba2 Cu O5 Tl -","- Ba2 Cu O5 Tl -","- Ba2 Cu O5 Tl -","1","0.0625","","Matheis, D.P.; Snyder, R.L.","The crystal structures and powder diffraction patterns of the bismuth and thallium Ruddlesden-Popper copper oxide superconductors","Powder Diffraction","1990","5","","8","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541402","4.116","","4.116","","4.116","","90","","90","","90","","69.731","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li.30 Ni.40 Ni.30 O","","- Li0.3 Ni0.7 O -","- Li0.3 Ni0.7 O -","- Li1.2 Ni2.8 O4 -","4","0.0208333","","Goodenough, J.B.; Wickham, D.G.; Croft, W.J.","Some Magnetic and Crystallographic Properties of the System LiX(+) Ni(1-2x)(2+) Nix(3+) O","Journal of Physics and Chemistry of Solids","1958","5","","107","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541965","5.14","","8.93","","7.37","","91.8","","104.5","","90","","327.337","","","","","","","","","","","","","4","C 1","C 1","1","","Al2 (Si2 O5) (O H)4","","- Al2 H4 O9 Si2 -","- Al2 O9 Si2 -","- Al4 O18 Si4 -","2","","","Drits, V.A.; Kashaev, A.A.","An x-ray study of a single crystal of kaolinite","Kristallografiya","1960","5","","224","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"1542076","10.72","","10.72","","7.99","","90","","90","","90","","918.198","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na2 (Ti0.75 Fe0.25) (O0.5 (O H)0.5) (Si4 O10)","","- Fe0.25 H0.5 Na2 O11 Si4 Ti0.75 -","- Fe0.25 Na2 O11 Si4 Ti0.75 -","- Fe Na8 O44 Si16 Ti3 -","4","0.25","","Pyatenko, Yu.A.; Pudovkina, Z.V.","Crystal structure of narsarsukite","Kristallografiya","1960","5","","563","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542104","9.08","","9.58","","8.58","","90","","90","","90","","746.343","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba (Al2 Si2 O8)","","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","1","","Bakakin, V.V.; Belov, N.V.","Crystal structure of paracelsian","Kristallografiya","1960","5","","864","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542165","5.516","","5.996","","7.228","","102.38","","97.74","","120.16","","193.395","","","","","","","","","","","","","4","P -1","-P 1","2","","Co (N O3)2 (H2 O)4","","- Co H8 N2 O10 -","- Co N2 O10 -","- Co N2 O10 -","1","0.5","","Ribar, B.; Herak, R.; Prelesnik, B.; Krstanovic, I.; Milinski, N.","Crystal Structure of Cobalt Nitrate Tetrahydrate, Co (N O3)2 (H2 O)","Univerzitet (Novi Sad), Prirodno-Matematicki Fakultet: Zbornik radova Prirodno-Matematickog Fakulteta.Ser. za biologijudat","1975","5","","65","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544685","4.231","","6.93","","9.526","","90","","125.5","","90","","227.391","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Ag2S","","Ag2S alpha","- Ag2 S -","- Ag2 S -","- Ag8 S4 -","4","1","","Sadanaga, R.; Sueno, S.","X-ray study of the alpha-beta transition of Ag2S","Mineralogical Journal","1967","5","","124","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","188719","2020-10-21","18:00:00",""
"1545752","10.075","0.001","18.506","0.003","16.06","0.002","90","","90","","90","","2994.4","0.7","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C4 H14 F2 Ga3 N2 O12 P3 -","- C4 F2 Ga3 N2 O12 P3 -","- C32 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.033","","","0.033","","","","","","","","","","","has coordinates","195507","2020-10-21","18:00:00",""
"1545753","10.156","0.003","18.672","0.009","16.367","0.007","90","","90","","90","","3104","2","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C5 H16 F2 Ga3 N2 O12 P3 -","- C5 F2 Ga3 N2 O12 P3 -","- C40 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.044","","","0.044","","","","","","","","","","","has coordinates","195508","2020-10-21","18:00:00",""
"1547205","7.5342","0.0006","9.1935","0.0008","12.8532","0.001","97.624","0.007","93.34","0.006","108.945","0.006","829.73","0.12","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate)","","- C15 H22 Cl N O5 -","- C15 H22 Cl N O5 -","- C30 H44 Cl2 N2 O10 -","2","1","","Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe","Synthesis and Crystal Structure of 1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate)","Chemistry Central Journal20115:23","2011","5","","23","","10.1186/1752-153X-5-23","","","0.71073","MoKα","","0.0495","0.0423","","","0.1111","0.1147","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547213","12.7424","0.0009","17.4112","0.0007","21.0833","0.001","90","","90","","90","","4677.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N12 O12 -","- C16 H20 N12 O12 -","- C128 H160 N96 O96 -","8","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.1339","0.0801","","","0.1233","0.1386","","","","","","1.164","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547214","10.2066","0.0006","28.2758","0.0011","4.7187","0.0003","90","","111.293","0.006","90","","1268.85","0.13","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H11 F N6 O7 -","- C8 H11 F N6 O7 -","- C32 H44 F4 N24 O28 -","4","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.068","0.067","","","0.1533","0.1535","","","","","","1.473","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547255","8.106","0.0001","10.241","0.0003","12.952","0.0004","90","","90","","90","","1075.19","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","MoKα","","0.0419","0.0322","","","0.0712","0.0754","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547256","7.305","0.0001","8.665","0.0001","23.568","0.0003","90","","90","","90","","1491.8","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Co O4 -","- C16 H19 Co O4 -","- C64 H76 Co4 O16 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","mokα","","0.0291","0.0274","","","0.062","0.0625","","","","","","1.231","","","","has coordinates","201075","2020-10-21","18:00:00",""
"1547473","16.0174","0.0007","10.8674","0.0005","20.309","0.0009","90","","104.291","0.003","90","","3425.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N3 O4 Ru -","- C37 H51 N3 O4 Ru -","- C148 H204 N12 O16 Ru4 -","4","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.084","0.0433","","","0.0798","0.0897","","","","","","1.195","","","","has coordinates,has disorder","201503","2020-10-21","18:00:00",""
"1547474","10.8243","0.0008","11.4812","0.001","15.4419","0.0013","74.516","0.003","85.839","0.003","64.889","0.003","1672.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 N3 O4 Ru -","- C37 H49 N3 O4 Ru -","- C74 H98 N6 O8 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0995","0.0466","","","0.0709","0.0822","","","","","","0.744","","","","has coordinates","201504","2020-10-21","18:00:00",""
"1547475","10.8191","0.0009","11.4795","0.001","15.4551","0.0013","74.51","0.003","85.583","0.003","64.732","0.003","1671.3","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 N3 O4 Ru -","- C37 H49 N3 O4 Ru -","- C74 H98 N6 O8 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0772","0.0538","","","0.1048","0.1106","","","","","","1.871","","","","has coordinates","201505","2020-10-21","18:00:00",""
"1547476","10.5222","0.0008","19.595","0.0015","15.8493","0.0012","90","","99.34","0.002","90","","3224.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 N3 O4 Ru -","- C35 H47 N3 O4 Ru -","- C140 H188 N12 O16 Ru4 -","4","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0653","0.0362","","","0.0705","0.0782","","","","","","1.159","","","","has coordinates,has disorder","201506","2020-10-21","18:00:00",""
"1547477","10.5807","0.0005","11.4363","0.0006","18.2848","0.0009","77.754","0.002","78.1","0.002","63.815","0.002","1924.23","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 N3 O5 Ru -","- C41 H61 N3 O5 Ru -","- C82 H122 N6 O10 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0642","0.0377","","","0.0731","0.0802","","","","","","1.151","","","","has coordinates","201507","2020-10-21","18:00:00",""
"1547478","14.24","0.007","14.263","0.007","14.821","0.007","90","","90","","90","","3010","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Fe2 N5 O3 S2 -","- C9 H18 Fe2 N5 O3 S2 -","- C72 H144 Fe16 N40 O24 S16 -","8","1","","Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y.","Redox active iron nitrosyl units in proton reduction electrocatalysis","Nature Communications","2014","5","","3684","","10.1038/ncomms4684","","","0.71073","MoKα","","0.0405","0.0295","","","0.0671","0.0729","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547481","13.5027","0.0013","19.1805","0.0017","27.433","0.003","90","","91.337","0.004","90","","7102.9","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H55 Ca F9 Mn3 N6 O20 S3 -","- C68 H55 Ca F9 Mn3 N6 O20 S3 -","- C272 H220 Ca4 F36 Mn12 N24 O80 S12 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1357","0.0647","","","0.0834","0.0879","","","","","","1.901","","","","has coordinates,has disorder","201511","2020-10-21","18:00:00",""
"1547482","14.7053","0.0008","14.7735","0.0008","18.5085","0.0011","69.988","0.003","72.802","0.003","69.91","0.002","3475.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H45 Ca F9 Mn3 N6 O21 S3 -","- C64 H45 Ca F9 Mn3 N6 O21 S3 -","- C128 H90 Ca2 F18 Mn6 N12 O42 S6 -","2","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.0572","0.0516","","","0.1732","0.1773","","","","","","1.669","","","","has coordinates","201512","2020-10-21","18:00:00",""
"1547483","11.679","0.0004","27.0308","0.0009","25.7452","0.0009","90","","93.682","0.002","90","","8110.8","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H65 Ca F6 Mn3 N6 O19 S2 -","- C76 H65 Ca F6 Mn3 N6 O19 S2 -","- C304 H260 Ca4 F24 Mn12 N24 O76 S8 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1808","0.0939","","","0.2338","0.2615","","","","","","1.351","","","","has coordinates,has disorder","201513","2020-10-21","18:00:00",""
"1547484","16.0744","0.0008","26.0588","0.0013","20.2364","0.0011","90","","105.055","0.003","90","","8185.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr -","- C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr -","- C300 H228 Cl8 F36 Mn12 N24 O80 S12 Sr4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1455","0.1018","","","0.3081","0.3347","","","","","","1.683","","","","has coordinates,has disorder","201514","2020-10-21","18:00:00",""
"1547485","11.7071","0.0004","27.1019","0.0012","25.4494","0.0011","90","","93.564","0.002","90","","8059.1","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H65 F6 Mn3 N6 O19 S2 Sr -","- C76 H65 F6 Mn3 N6 O19 S2 Sr -","- C304 H260 F24 Mn12 N24 O76 S8 Sr4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1584","0.0865","","","0.1959","0.2193","","","","","","1.11","","","","has coordinates,has disorder","201515","2020-10-21","18:00:00",""
"1547486","14.3484","0.0008","14.3923","0.0007","18.5632","0.0009","72.643","0.003","73.273","0.003","70.956","0.003","3380.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67.4 H47.11 F9 Mn3 N7.7 O18 S3 Zn -","- C67.404 H47.106 F9 Mn3 N7.702 O18 S3 Zn -","- C134.808 H94.212 F18 Mn6 N15.404 O36 S6 Zn2 -","2","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1119","0.0694","","","0.2015","0.2216","","","","","","1.466","","","","has coordinates,has disorder","201516","2020-10-21","18:00:00",""
"1547487","13.5641","0.0016","15.0073","0.0017","16.813","0.002","102.848","0.004","109.783","0.004","93.581","0.004","3104.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","1","0.5","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1426","0.0711","","","0.1588","0.1841","","","","","","1.434","","","","has coordinates,has disorder","201517","2020-10-21","18:00:00",""
"1547488","14.7253","0.0017","25.28","0.003","23.717","0.003","90","","102.212","0.006","90","","8629","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H65 F9 Mn3 N6 O21 S3 Y -","- C72 H65 F9 Mn3 N6 O21 S3 Y -","- C288 H260 F36 Mn12 N24 O84 S12 Y4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.0794","0.0515","","","0.1233","0.1318","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1548112","3.7833","0.0003","7.6139","0.0007","20.1473","0.0018","90","","92.131","0.007","90","","579.96","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd Cl2 N4 O2 -","- C8 H8 Cd Cl2 N4 O2 -","- C16 H16 Cd2 Cl4 N8 O4 -","2","0.5","LQ5009","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0492","0.047","","","0.1074","0.108","","","","","","1.532","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548113","3.9043","0.0002","7.718","0.0005","20.6142","0.0014","90","","92.442","0.005","90","","620.61","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br2 Cd N4 O2 -","- C8 H8 Br2 Cd N4 O2 -","- C16 H16 Br4 Cd2 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0397","0.0384","","","0.0989","0.0993","","","","","","1.377","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548114","4.1497","0.0002","7.8783","0.0004","21.0091","0.0014","90","","92.551","0.004","90","","686.16","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd I2 N4 O2 -","- C8 H8 Cd I2 N4 O2 -","- C16 H16 Cd2 I4 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0275","0.0254","","","0.0574","0.0584","","","","","","1.187","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548115","3.884","0.0003","23.164","0.002","7.0359","0.0008","90","","93.712","0.009","90","","631.68","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br2 Cd N4 O2 -","- C8 H8 Br2 Cd N4 O2 -","- C16 H16 Br4 Cd2 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.055","0.0445","","","0.0962","0.1012","","","","","","1.147","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548116","4.0953","0.0003","7.8089","0.0006","21.7078","0.0013","90","","92.307","0.006","90","","693.65","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd I2 N4 O2 -","- C8 H8 Cd I2 N4 O2 -","- C16 H16 Cd2 I4 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0556","0.0501","","","0.1437","0.1491","","","","","","1.171","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548117","18.259","0.0012","3.867","0.0002","24.2737","0.0018","90","","95.491","0.006","90","","1706.04","0.19","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 Br2 Cd N4 O2 -","- C16 H12 Br2 Cd N4 O2 -","- C64 H48 Br8 Cd4 N16 O8 -","4","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.069","0.0551","","","0.1629","0.1769","","","","","","1.076","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548118","19.7099","0.0005","6.8535","0.0002","13.631","0.0004","90","","98.052","0.003","90","","1823.15","0.09","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 Cd I2 N4 O2 -","- C16 H12 Cd I2 N4 O2 -","- C64 H48 Cd4 I8 N16 O8 -","4","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0431","0.0382","","","0.0936","0.098","","","","","","1.087","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548296","10.165","0.006","7.482","0.004","10.278","0.006","90","","110.446","0.009","90","","732.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0817","0.0551","","","0.1161","0.1299","","","","","","1.086","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548297","9.859","0.004","18.123","0.007","13.451","0.005","90","","110.728","0.005","90","","2247.8","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 B2 O2 -","- C24 H34 B2 O2 -","- C96 H136 B8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0868","0.061","","","0.1325","0.1545","","","","","","1.088","","","","has coordinates,has disorder","203759","2020-10-21","18:00:00",""
"1548298","15.238","0.005","10.705","0.004","16.004","0.006","90","","107.762","0.005","90","","2486.2","1.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 O4 -","- C26 H34 B2 O4 -","- C104 H136 B8 O16 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0871","0.0648","","","0.145","0.1631","","","","","","1.208","","","","has coordinates","203760","2020-10-21","18:00:00",""
"1548299","9.278","0.003","10.2","0.003","16.057","0.005","71.907","0.012","83.574","0.015","68.113","0.012","1340.3","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H43 B2 N O2 -","- C29 H43 B2 N O2 -","- C58 H86 B4 N2 O4 -","2","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0976","0.0659","","","0.1219","0.1346","","","","","","1.046","","","","has coordinates","203761","2020-10-21","18:00:00",""
"1548300","12.796","0.004","18.047","0.005","15.325","0.005","90","","110.858","0.004","90","","3307.1","1.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0899","0.0635","","","0.123","0.1367","","","","","","1.088","","","","has coordinates","203763","2020-10-21","18:00:00",""
"1548301","13.923","0.006","15.76","0.006","15.026","0.005","90","","92.731","0.009","90","","3293","2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.1204","0.0743","","","0.1687","0.1986","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548310","6.9186","0.0002","6.9186","0.0002","7.9061","0.0003","90","","90","","90","","378.44","0.02","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","1","0.0625","","Shekhah, Osama; Belmabkhout, Youssef; Chen, Zhijie; Guillerm, Vincent; Cairns, Amy; Adil, Karim; Eddaoudi, Mohamed","Made-to-order metal-organic frameworks for trace carbon dioxide removal and air capture","Nature Communications","2014","5","","4228","","10.1038/ncomms5228","powder diffraction","","1.5418","CuKα","","","","","","","","","5.1628","20.7","","","","","","","has coordinates","210525","2020-10-21","18:00:00",""
"1548311","23.7146","0.0012","23.7146","0.0012","19.1834","0.0011","90","","90","","120","","9343","0.9","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C9 H56 K Mo10 N O42 S10 -","- C9 K1.00333 Mo10 N0.996667 O41.6867 S10 -","- C54 K6.02 Mo60 N5.98 O250.12 S60 -","6","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0292","0.0247","","","0.071","0.075","","","","","","1.079","","","","has coordinates","203774","2020-10-21","18:00:00",""
"1548312","11.2207","0.0003","22.4613","0.0008","16.9237","0.0006","90","","105.662","0.001","90","","4106.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 K10 Mo14 O80 S2 -","- C26 K10 Mo14 O80 S2 -","- C52 K20 Mo28 O160 S4 -","2","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0195","0.0191","","","0.0515","0.0517","","","","","","1.034","","","","has coordinates","203775","2020-10-21","18:00:00",""
"1548313","20.8518","0.0005","28.0652","0.0006","32.415","0.0008","90","","104.793","0.001","90","","18340.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C56 H236 K18 Mo60 N4 O261 S36 -","- C55 K15.2 Mo60 N4 O241.7 S36 -","- C110 K30.4 Mo120 N8 O483.4 S72 -","2","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0783","0.0507","","","0.1351","0.1562","","","","","","1.056","","","","has coordinates","203776","2020-10-21","18:00:00",""
"1548314","26.0429","0.0007","29.3416","0.0008","47.0393","0.0013","90","","90.04","0.002","90","","35944.6","1.7","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H246 I K11.5 Mo48 N3 Na0.5 O220 S36 -","- C32.5 I K10 Mo48 N3 O218.8 S36 -","- C130 I4 K40 Mo192 N12 O875.2 S144 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0821","0.0544","","","0.1398","0.1623","","","","","","1.039","","","","has coordinates","203777","2020-10-21","18:00:00",""
"1548315","26.515","0.002","44.264","0.003","17.7362","0.0014","90","","90","","90","","20816","3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H126 K14 Mo34 O148 S24 -","- C20 K13.6 Mo34 O147.01 S24 -","- C80 K54.4 Mo136 O588.04 S96 -","4","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1338","0.1173","","","0.2478","0.2556","","","","","","1.223","","","","has coordinates","203778","2020-10-21","18:00:00",""
"1548316","30.5759","0.0009","17.0735","0.0005","38.4463","0.0012","90","","113.034","0.002","90","","18470.3","1","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C61 H141 K8 Mo18 N7 O99 S18 -","- C47.3 K8 Mo18 N4 O98.9 S18 -","- C189.2 K32 Mo72 N16 O395.6 S72 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1126","0.0711","","","0.1831","0.2152","","","","","","1.029","","","","has coordinates","203779","2020-10-21","18:00:00",""
"1548319","36.2479","0.001","36.2479","0.001","17.0202","0.0005","90","","90","","120","","19366.9","0.9","198","","198","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C32.33 H61.67 Cl2 Mo N2 O2.33 P2 -","- C31 H43 Cl2 Mo N2 O3.3334 P2 -","- C558 H774 Cl36 Mo18 N36 O60.0012 P36 -","18","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.079","","","","0.1725","","","","","","1","","","","has coordinates","203782","2020-10-21","18:00:00",""
"1548320","16.3159","0.0005","16.3159","0.0005","19.6989","0.0005","90","","90","","120","","4541.5","0.2","198","","198","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H44.33 Cl Mo N2 P2 -","- C24.3332 H43 Cl Mo N2 P2 -","- C145.999 H258 Cl6 Mo6 N12 P12 -","6","0.5","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.1103","","","","0.2165","","","","","","1","","","","has coordinates","203783","2020-10-21","18:00:00",""
"1548321","33.3044","0.0007","15.2043","0.0003","13.0074","0.0003","90","","109.784","0.0007","90","","6197.8","0.2","183","","183","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C192 H344 Cl8 F24 Mo8 N16 O24 P16 S8 -","8","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0516","","","","0.105","","","","","","1.029","","","","has coordinates","203784","2020-10-21","18:00:00",""
"1548322","16.4904","0.0004","16.7621","0.0003","16.772","0.0004","90","","119.077","0.0007","90","","4051.71","0.16","198","","198","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C132 H228 Cl4 F12 Mo4 N12 O16 P8 S4 -","4","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0449","","","","0.0718","","","","","","1","","","","has coordinates","203785","2020-10-21","18:00:00",""
"1548471","12.343","0.0004","9.5901","0.0003","8.4468","0.0003","90","","90","","90","","999.85","0.06","","","4","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.742","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548472","12.3636","0.0005","9.5974","0.0004","8.4596","0.0003","90","","90","","90","","1003.8","0.07","","","130","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.591","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548473","12.4081","0.0005","9.6132","0.0004","8.4859","0.0004","90","","90","","90","","1012.21","0.08","","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.387","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548523","9.199","0.004","9.202","0.004","9.295","0.004","87.525","0.008","79.027","0.008","87.884","0.007","771.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Al3 F N O12.5 P3 -","- C4 H12 Al3 F N O12.5 P3 -","- C8 H24 Al6 F2 N2 O25 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0641","0.0537","","","0.1595","0.1853","","","","","","1.116","","","","has coordinates","204442","2020-10-21","18:00:00",""
"1548524","9.1231","0.0014","9.2411","0.0014","9.3426","0.0015","86.769","0.004","79.946","0.004","87.846","0.004","774","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H12 Al3 F N O13 P3 -","- C3 H10 Al3 F N O13 P3 -","- C6 H20 Al6 F2 N2 O26 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0933","0.056","","","0.1298","0.1453","","","","","","0.96","","","","has coordinates","204443","2020-10-21","18:00:00",""
"1548525","9.18","0.0008","9.1957","0.0008","9.3606","0.0008","86.532","0.002","78.192","0.002","87.739","0.002","771.76","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H12.5 Al3 F N O12.25 P3 -","- C5 H12 Al3 F N O12.25 P3 -","- C10 H24 Al6 F2 N2 O24.5 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0675","0.0493","","","0.1152","0.1232","","","","","","1.037","","","","has coordinates","204444","2020-10-21","18:00:00",""
"1548908","9.609","0.0017","9.609","0.0017","9.609","0.0017","94.46","0.03","94.46","0.03","94.46","0.03","878.7","0.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1","SP5002","Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter","Electron crystallography with the EIGER detector","IUCrJ","2018","5","2","190","199","10.1107/S2052252518000945","","","0.02508","","","0.2532","0.2225","","","0.4999","0.5177","","","","","","1.304","","","","has coordinates","206765","2020-10-21","18:00:00",""
"1549161","7.4159","0.0016","19.318","0.004","7.3457","0.0016","90","","90","","90","","1052.3","0.4","120","","120","","","","","","","","","5","P n n m","-P 2 2n","58","","Catena(bis(mu3-dimethylmalonato-O,O',O'',O''')-(mu2-4,4'-bipyridine-N,N') -diaqua-dizinc(II))","","- C20 H24 N2 O10 Zn2 -","- C20 H24 N2 O10 Zn2 -","- C40 H48 N4 O20 Zn4 -","2","0.25","LQ5010","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.1021","0.0657","","","0.1305","0.1448","","","","","","1.043","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549162","8.2852","0.0011","10.4999","0.0014","21.684","0.003","90","","117.282","0.003","90","","1676.5","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene)- zinc(II) monohydrate)","","- C17 H18 N2 O5 Zn -","- C17 H18 N2 O5 Zn -","- C68 H72 N8 O20 Zn4 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0726","0.0512","","","0.0948","0.1013","","","","","","0.998","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549163","8.3","0.0017","10.4","0.002","19.74","0.004","90","","90","","90","","1704","0.6","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene-N,N')- zinc(II) (mu-Dimethylmalonato-O,O')(mu!4$-tetrakis(4- pyridyl)cyclobutane-N,N',N'',N''')- zinc(II) hydrate)","","- C17 H17 N2 O4.25 Zn -","- C17 H17 N2 O4.25 Zn -","- C68 H68 N8 O17 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.9699","synchrotron","","0.1459","0.0934","","","0.1857","0.2141","","","","","","1.045","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549164","18.0211","0.0008","5.8795","0.0002","21.7192","0.0012","90","","113.89","0.001","90","","2104.1","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena(Bis(hydrogen dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene)- zinc(II))","","- C22 H24 N2 O8 Zn -","- C22 H24 N2 O8 Zn -","- C88 H96 N8 O32 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0298","0.0264","","","0.0679","0.0689","","","","","","1.134","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549165","8.4434","0.0014","10.3811","0.0018","21.551","0.004","90","","115.928","0.004","90","","1698.8","0.5","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethane)- zinc(II) monohydrate)","","- C17 H20 N2 O5 Zn -","- C17 H20 N2 O5 Zn -","- C68 H80 N8 O20 Zn4 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0908","0.0704","","","0.145","0.1528","","","","","","0.999","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549166","11.1832","0.0008","8.2422","0.0006","23.832","0.0017","90","","99.143","0.002","90","","2168.8","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena((mu-4,4'-bipyridine-N,N')-bis(4,4'-bipyridine)-bis(mu-diethylmalonato- O,O')-dizinc(II) dihydrate)","","- C22 H24 N3 O5 Zn -","- C22 H24 N3 O5 Zn -","- C88 H96 N12 O20 Zn4 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0808","0.0471","","","0.0891","0.1028","","","","","","1.013","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549167","22.6008","0.0012","11.4154","0.0006","17.1552","0.0009","90","","120.308","0.001","90","","3821.1","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena((mu-4,4'-bipyridine-N,N')-tetraaqua-zinc(II) bis(hydrogen diethylmalonate) 4,4'-bipyridine dihydrate)","","- C34 H50 N4 O14 Zn -","- C34 H50 N4 O14 Zn -","- C136 H200 N16 O56 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0381","0.0289","","","0.0708","0.0749","","","","","","1.021","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549168","9.8266","0.0005","22.0654","0.0012","22.1641","0.0011","90","","90","","90","","4805.8","0.4","120","","120","","","","","","","","","5","C m c m","-C 2c 2","63","","Catena((mu-1,2-bis(4-pyridine)ethylene-N,N')- (mu-diethylmalonato-O,O')-zinc(II) 1,2-bis(4-pyridine)ethylene solvate)","","- C22 H22.5 N2.5 O4 Zn -","- C22 H22.25 N2.5 O4 Zn -","- C176 H178 N20 O32 Zn8 -","8","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0768","0.0516","","","0.1293","0.1398","","","","","","1","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549169","9.845","0.008","22.082","0.017","21.905","0.017","90","","90","","90","","4762","6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Catena(tris(mu-1,2-bis(4-pyridine)ethylene-N,N')-(mu-tetrakis(4-pyridyl) cyclobutane-N,N')-tetrakis(mu-diethylmalonato-O,O')-tetrazinc(II)","","- C22 H22.5 N2.5 O4 Zn -","- C22 H22.5 N2.5 O4 Zn -","- C176 H180 N20 O32 Zn8 -","8","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.235","0.1144","","","0.1887","0.2372","","","","","","1.008","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549170","22.881","0.002","6.8976","0.0006","14.1573","0.0012","90","","117.532","0.002","90","","1981.3","0.3","120","","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(1,2-Bis(4-pyridine)ethylene-N)-tetraaqua-zinc(II) bis(hydrogen diethylmalonate)","","- C38 H48 N4 O12 Zn -","- C38 H48 N4 O12 Zn -","- C76 H96 N8 O24 Zn2 -","2","0.25","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0616","0.0518","","","0.1252","0.1315","","","","","","1.033","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549171","26.8028","0.0019","6.8933","0.0005","23.069","0.0017","90","","110.021","0.001","90","","4004.6","0.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena(1,2-Bis(4-pyridine)ethylene-N)-tetraaqua-zinc(II) (mu-tetrakis(4-pyridyl) cyclobutane-N,N')-tetraaqua-zinc(II) tetrakis(hydrogen diethylmalonate)","","- C38 H48 N4 O12 Zn -","- C38 H48 N4 O12 Zn -","- C152 H192 N16 O48 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.095","0.0549","","","0.1497","0.1762","","","","","","1.033","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549172","24.662","0.003","37.18","0.005","8.7826","0.0012","90","","90","","90","","8053.1","1.8","120","","120","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C19 H22.75 N2 O4.38 Zn -","- C19 H22.75 N2 O4.375 Zn -","- C304 H364 N32 O70 Zn16 -","16","2","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.1123","0.0646","","","0.1268","0.1497","","","","","","1.014","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549175","43.822","0.009","5.689","0.001","48.331","0.01","90","","106.79","0.03","90","","11535","4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 S3 -","- C12 H8 S3 -","- C504 H336 S126 -","42","10.5","","Resel, Roland; Jones, Andrew O. F.; Schweicher, Guillaume; Fischer, Roland; Demitri, Nicola; Geerts, Yves Henri","Polymorphism of terthiophene with surface confinement","IUCrJ","2018","5","3","","","10.1107/S2052252518003949","","","0.7","Synchrotron","","0.0908","0.0631","","","0.1687","0.1909","","","","","","1.029","","","","has coordinates,has disorder","207192","2020-10-21","18:00:00",""
"1549229","10.8022","0.0002","13.9084","0.0002","14.6076","0.0003","115.284","0.001","109.088","0.002","90.525","0.001","1846.65","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Triamterene, acetic acid and DMSO","Triamterenium acetate, DMSO solvate","","- C16 H21 N7 O3 S -","- C16 H21 N7 O3 S -","- C64 H84 N28 O12 S4 -","4","2","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.7107","MoKα","","0.0811","0.0466","","","0.1179","0.126","","","","","","0.935","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549230","13.5226","0.0007","14.9966","0.0007","10.6958","0.0005","90","","104.179","0.002","90","","2102.95","0.18","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triamterene, succinic acid and DMSO","Triamterenium succinate, DMSO solvate","","- C18 H23 N7 O5 S -","- C18 H23 N7 O5 S -","- C72 H92 N28 O20 S4 -","4","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.0896","0.0364","","","0.0693","0.0735","","","","","","0.747","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549231","11.0286","0.0003","13.7429","0.0004","14.9742","0.0005","115.247","0.002","109.951","0.004","90.122","0.002","1900.25","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Triamterene, adipic acid and DMSO","Triamterenium adipate, DMSO solvate","","- C34 H44 N14 O6 S2 -","- C34 H44 N14 O6 S2 -","- C68 H88 N28 O12 S4 -","2","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.1007","0.0729","","","0.1727","0.1911","","","","","","1.022","","","","has coordinates,has disorder","207260","2020-10-21","18:00:00",""
"1549232","14.075","0.0005","14.8889","0.0006","19.635","0.002","86.408","0.002","88.142","0.003","71.702","0.002","3898.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Triamterene, pimelic acid and DMSO","Triamterenium pimelate, DMSO solvate","","- C35 H46 N14 O6 S2 -","- C35 H46 N14 O6 S2 -","- C140 H184 N56 O24 S8 -","4","2","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.2057","0.0788","","","0.1951","0.22","","","","","","0.945","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549233","15.0338","0.0003","11.5004","0.0002","24.396","0.0006","90","","104.539","0.001","90","","4082.87","0.15","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triamterene, azelaic acid and DMSO","Triamterenium azelate, DMSO solvate","","- C37 H50 N14 O6 S2 -","- C37 H50 N14 O6 S2 -","- C148 H200 N56 O24 S8 -","4","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.7107","MoKα","","0.1039","0.0587","","","0.1461","0.1634","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549234","14.8461","0.0002","12.3081","0.0003","21.285","0.0005","90","","105.176","0.001","90","","3753.71","0.14","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triamterene, nicotinic acid and DMSO","Triamterenium nicotinate, Triamterene and DMSO solvate","","- C34 H39 N15 O4 S2 -","- C34 H39 N15 O4 S2 -","- C136 H156 N60 O16 S8 -","4","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.7107","MoKα","","0.0925","0.0414","","","0.0803","0.0887","","","","","","0.897","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549235","11.2398","0.0003","13.2439","0.0003","15.4624","0.0004","113.595","0.002","103.527","0.003","91.977","0.002","2029.46","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Triamterene and Ibuprofen salt, DMSO solvate","Triamterene and Ibuprofen, DMSO solvate","","- C39 H46 N14 O3 S -","- C39 H46 N14 O3 S -","- C78 H92 N28 O6 S2 -","2","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.109","0.0737","","","0.1891","0.2145","","","","","","1.021","","","","has coordinates,has disorder","207260","2020-10-21","18:00:00",""
"1549262","17.8904","0.0016","17.8904","0.0016","12.7999","0.0013","90","","90","","120","","3547.9","0.6","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H106 Ca Cu6 N6 O66 -","- C24 H24 Ca Cu6 N6 O66 -","- C48 H48 Ca2 Cu12 N12 O132 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0474","0.041","","","0.1184","0.1284","","","","","","1.099","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549263","17.9504","0.0013","17.9504","0.0013","12.5603","0.0011","90","","90","","120","","3504.9","0.5","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C48.4 H80.2 Ca Cu6 N11 O37.6 -","- C38.4017 H6 Ca Cu6 N6 O37.6002 -","- C76.8034 H12 Ca2 Cu12 N12 O75.2004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0737","0.0613","","","0.1906","0.2052","","","","","","0.953","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549264","17.9607","0.0011","17.9607","0.0011","12.6765","0.0008","90","","90","","120","","3541.4","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H83 Ca Cu6 N9 O54 -","- C36.0006 H40.0008 Ca Cu6 N6 O52.5006 -","- C72.0012 H80.0016 Ca2 Cu12 N12 O105.001 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0578","0.0462","","","0.1379","0.1531","","","","","","0.891","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549265","17.9035","0.0009","17.9035","0.0009","12.6421","0.0007","90","","90","","120","","3509.3","0.3","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H89 Ca Cu6 N9 O51 -","- C30.0003 H24 Ca Cu6 N6 O49.0002 -","- C60.0006 H48 Ca2 Cu12 N12 O98.0004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0558","0.0491","","","0.1525","0.1607","","","","","","1.043","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549266","17.997","0.003","17.997","0.003","12.861","0.002","90","","90","","120","","3607.5","1","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C37 H90 Ca Cl Cu6 N7 O50 -","- C36.9989 Ca Cl0.9999 Cu6 N6.9999 O47.0001 -","- C73.9978 Ca2 Cl1.9998 Cu12 N13.9998 O94.0002 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.1091","0.0612","","","0.1693","0.2015","","","","","","1.009","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549267","9.3241","0.0008","9.5329","0.0008","12.0593","0.0014","83.218","0.008","66.653","0.007","80.098","0.007","967.99","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,6,10b-triazaacephenanthrylene","","- C26 H15 N5 O -","- C26 H15 N5 O -","- C52 H30 N10 O2 -","2","1","","Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M.","π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene","IUCrJ","2018","5","3","","","10.1107/S2052252518001987","","","1.54184","CuKα","","0.122","0.0621","","","0.1407","0.1962","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549268","9.2504","0.0005","9.4009","0.0008","11.9245","0.0006","84.147","0.006","67.347","0.005","81.113","0.006","944.47","0.11","119.9","0.1","119.9","0.1","","","","","","","","4","P -1","-P 1","2","","5,6,10b-triazaacephenanthrylene","","- C26 H15 N5 O -","- C26 H15 N5 O -","- C52 H30 N10 O2 -","2","1","","Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M.","π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene","IUCrJ","2018","5","3","","","10.1107/S2052252518001987","","","1.54184","CuKα","","0.0916","0.0681","","","0.1844","0.217","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549525","8.1481","0.0001","6.8774","0.0001","10.9947","0.0001","90","","95.97","0.001","90","","612.777","0.013","89.9","0.3","89.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cytosinium chloride","","- C4 H6 Cl N3 O -","- C4 H6 Cl N3 O -","- C16 H24 Cl4 N12 O4 -","4","1","","Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria","Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions","IUCrJ","2018","5","4","","","10.1107/S2052252518006346","","x-ray","0.71073","MoKα","","","0.0159","","","0.0237","0.0237","","","","","","1.21","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549526","8.6936","0.0001","4.8189","0.0001","17.6971","0.0001","90","","93.526","0.001","90","","739.992","0.018","89.9","0.3","89.9","0.3","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","adeninium chloride hemihydrate","","- C5 H7 Cl N5 O0.5 -","- C5 H7 Cl N5 O0.5 -","- C20 H28 Cl4 N20 O2 -","4","1","","Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria","Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions","IUCrJ","2018","5","4","","","10.1107/S2052252518006346","","x-ray","0.71073","MoKα","","","0.0217","","","0.0283","0.0283","","","","","","1.21","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549527","13.5939","0.0005","6.4841","0.0002","9.86","0.0004","90","","90","","90","","869.1","0.05","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","guaninium dichloride","","- C2.5 H3.5 Cl N2.5 O0.5 -","- C2.5 H3.5 Cl N2.5 O0.5 -","- C20 H28 Cl8 N20 O4 -","8","1","","Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria","Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions","IUCrJ","2018","5","4","","","10.1107/S2052252518006346","","x-ray","0.71073","MoKα","","","0.0179","","","0.019","0.019","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549598","7.5787","0.0007","7.6707","0.0004","2.8836","0.0001","90","","90","","90","","167.635","0.019","293","","293","","","","","","","","Sigma Aldrich","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.857 O9.571 Si1.143 -","- Al4.856 O9.57 Si1.144 -","- Al4.856 O9.57 Si1.144 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.0384","0.0371","","","0.1028","0.1044","","","","1.12","1.12","1.01","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549599","7.577","0.002","7.6727","0.0018","2.8804","0.001","90","","90","","90","","167.46","0.08","293","","293","","","","","","","","","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.832 O9.584 Si1.168 -","- Al4.832 O9.584 Si1.168 -","- Al4.832 O9.584 Si1.168 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.0347","0.0312","","","0.0846","0.0885","","","","1.27","1.27","1.08","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549600","7.5768","0.0013","7.676","0.0016","2.8833","0.0012","90","","90","","90","","167.69","0.08","293","","293","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al4.868 O9.566 Si1.132 -","- Al4.868 O9.566 Si1.132 -","- Al4.868 O9.566 Si1.132 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.0423","0.0374","","","0.1056","0.1105","","","","1.95","1.95","1.44","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549601","7.577","0.002","7.6738","0.0019","2.8823","0.001","90","","90","","90","","167.59","0.08","293","","293","","","","","","","","Sigma Aldrich","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.853 O9.574 Si1.147 -","- Al4.8528 O9.5728 Si1.1472 -","- Al4.8528 O9.5728 Si1.1472 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.031","0.0252","","","0.0916","0.0971","","","","1.37","1.37","1.03","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549602","13.0184","0.0013","9.7153","0.001","19.986","0.002","90","","104.649","0.005","90","","2445.6","0.4","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(I4F16cb)2(bpe)","rctt-tetrakis-(4-iodo-2,3,5,6-tetrafluorophenyl)cyclobutane, trans-1,2-bis-(4-pyridyl)-ethene","","- C52 H24 F16 I4 N4 -","- C52 H24 F16 I4 N4 -","- C104 H48 F32 I8 N8 -","2","0.5","","Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R.","Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization","IUCrJ","2018","5","4","","","10.1107/S2052252518007583","","","0.71073","MoKα","","0.031","0.0198","","","0.0408","0.046","","","","","","1.085","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549603","12.9647","0.0013","10.2219","0.001","19.519","0.01","90","","109.387","0.005","90","","2440.1","1.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(I4F16cb)(tpcb)","rctt-tetrakis-(4-iodo-2,3,5,6-tetrafluorophenyl)cyclobutane, rctt-tetrakis(4-pyridyl)-cyclobutane","","- C52 H24 F16 I4 N4 -","- C52 H24 F16 I4 N4 -","- C104 H48 F32 I8 N8 -","2","0.5","","Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R.","Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization","IUCrJ","2018","5","4","","","10.1107/S2052252518007583","","","0.71073","MoKα","","0.0626","0.033","","","0.0548","0.0627","","","","","","1.043","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549713","9.7187","0.0004","11.2496","0.0005","21.8708","0.0007","88.401","0.003","83.848","0.003","64.446","0.004","2144.39","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Mn0.5 N6 O14 S2 -","- C42 H46 Mn0.5 N6 O14 S2 -","- C84 H92 Mn N12 O28 S4 -","2","1","","Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel","Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs)","IUCrJ","2018","5","5","","","10.1107/S2052252518007856","","","1.54184","CuKα","","0.0984","0.0609","","","0.1516","0.1742","","","","","","1.012","","","","has coordinates,has disorder","209167","2020-10-21","18:00:00",""
"1549880","9.2198","0.0005","14.0236","0.0008","15.7941","0.0008","90","","105.723","0.005","90","","1965.69","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B Cd N8 O5 -","- C17 H16 B Cd N8 O5 -","- C68 H64 B4 Cd4 N32 O20 -","4","1","","Wen, Tian; Zheng, Yao; Xu, Chaochen; Zhang, Jian; Jaroniec, Mietek; Qiao, Shi-Zhang","A boron imidazolate framework with mechanochromic and electrocatalytic properties","Materials Horizons","2018","5","6","1151","","10.1039/C8MH00859K","","","0.71073","MoKα","","0.0421","0.0314","","","0.0652","0.0694","","","","","","1.054","","","","has coordinates","230979","2020-10-21","18:00:00",""
"1549881","7.6043","0.0007","13.4161","0.0013","11.8847","0.0011","90","","103.676","0.003","90","","1178.1","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N O Se -","- C13 H8 Br N O Se -","- C52 H32 Br4 N4 O4 Se4 -","4","1","","Shukla, Rahul; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Balkrishna, Shah Jaimin; Kumar, Sangit; Chopra, Deepak","Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative <i>via</i> experimental and theoretical electron-density analysis","IUCrJ","2018","5","5","647","653","10.1107/S2052252518011041","","","0.56086","AgKα","","0.0162","0.0162","","","0.0343","0.0343","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549947","8.99566","0.00012","21.5226","0.0003","9.8982","0.00012","90","","90","","90","","1916.39","0.04","380","","380","","","","","","","","","3","P c a m","-P 2c 2ac","57","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C80 H96 N16 -","8","1","","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","powder diffraction","x-ray","1.54051","CuKα-1-","","0.0611","0.0442","","0.0448","0.0415","","","","1.28","","","","","","","has coordinates","210977","2020-10-21","18:00:00",""
"1549948","9.0006","0.0002","20.7778","0.0004","9.7487","0.0002","90","","90","","90","","1823.13","0.07","200","0.1","200","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C80 H96 N16 -","8","2","","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","","0.0315","0.0311","","","0.044","0.0441","","","","3.08","3.08","3.06","","","","has coordinates","301779","2025-08-18","16:07:25",""
"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","301779","2025-08-18","16:07:25",""
"1550099","11.0695","0.0002","17.736","0.0003","13.5179","0.0003","90","","97.3794","0.0019","90","","2631.97","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_Salt","","","- C31 H34 N2 O5 -","- C31 H34 N2 O5 -","- C124 H136 N8 O20 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0665","0.0566","","","0.1488","0.153","","","","","","1.13","","","","has coordinates","211663","2020-10-21","18:00:00",""
"1550100","11.235","0.0005","17.6516","0.0006","13.4798","0.0006","90","","96.269","0.004","90","","2657.27","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_Salt","","","- C31 H34 N2 O6 -","- C31 H34 N2 O6 -","- C124 H136 N8 O24 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0859","0.0638","","","0.1599","0.1699","","","","","","1.099","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550101","11.3258","0.0004","17.8349","0.0007","13.4077","0.0007","90","","95.8","0.004","90","","2694.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_Salt","","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1036","0.0883","","","0.2498","0.2555","","","","","","1.146","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550102","10.843","0.004","17.862","0.006","13.913","0.006","90","","91.715","0.012","90","","2693.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 4-Dihydroxybenzoic acid_Salt","","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0732","0.0538","","","0.1283","0.1417","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550103","11.4733","0.0003","17.6286","0.0005","13.653","0.0004","90","","93.29","0.002","90","","2756.88","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_2, 6-Dihydroxybenzoic acid_Salt","","","- C31 H34 N2 O7 -","- C31 H33.5 N2 O7 -","- C124 H134 N8 O28 -","4","2","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0791","0.0607","","","0.154","0.1696","","","","","","1.046","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550104","11.197","0.002","17.627","0.004","13.199","0.003","90","","96.347","0.006","90","","2589.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O5.9 -","- C31 H34 N2 O5.9 -","- C124 H136 N8 O23.6 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0443","0.0411","","","0.1168","0.1223","","","","","","1.1","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550105","11.282","0.004","17.856","0.007","13.46","0.005","90","","96.06","0.012","90","","2696.4","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2, 3-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34.42 N2 O6.42 -","- C31 H34.42 N2 O6.42 -","- C124 H137.68 N8 O25.68 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0861","0.0688","","","0.2169","0.2274","","","","","","1.616","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550106","11.346","0.002","17.508","0.004","13.4","0.003","90","","98.15","0.03","90","","2635","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_Benzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C62 H67.84 N4 O11.72 -","- C62 H67.84 N4 O11.72 -","- C124 H135.68 N8 O23.44 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.126","0.0832","","","0.1481","0.1634","","","","","","1.056","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550107","11.253","0.004","17.66","0.006","13.247","0.004","90","","95.787","0.011","90","","2619.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.51 -","- C31 H34 N2 O6.51 -","- C124 H136 N8 O26.04 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0621","0.0523","","","0.1471","0.1536","","","","","","1.103","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550108","11.176","0.004","17.608","0.005","13.305","0.004","90","","95.426","0.01","90","","2606.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34.55 N2 O6.14 -","- C31 H34.55 N2 O6.14 -","- C124 H138.2 N8 O24.56 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0789","0.062","","","0.1334","0.1402","","","","","","1.116","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550109","11.487","0.007","17.514","0.01","13.31","0.009","90","","95.95","0.03","90","","2663","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.47 -","- C31 H34 N2 O6.47 -","- C124 H136 N8 O25.88 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1409","0.1043","","","0.2066","0.2215","","","","","","1.119","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550110","11.195","0.015","17.69","0.03","13.449","0.018","90","","94.4","0.05","90","","2656","7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O7 -","- C31 H34.0026 N2 O7 -","- C124 H136.01 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1194","0.0993","","","0.2094","0.2194","","","","","","1.181","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550111","11.475","0.006","17.669","0.009","13.248","0.007","90","","94.87","0.02","90","","2676","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H33 N2 O7 -","- C31 H33 N2 O7 -","- C124 H132 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1286","0.1109","","","0.2424","0.2508","","","","","","1.208","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550112","11.296","0.002","17.807","0.004","13.459","0.003","90","0.03","95.99","0.03","90","0.03","2692.5","1","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid _2, 3-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34.12 N2 O6.33 -","- C31 H34.12 N2 O6.33 -","- C124 H136.48 N8 O25.32 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0542","0.0447","","","0.1259","0.1376","","","","","","1.067","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550113","11.199","0.02","17.71","0.03","13.4","0.03","90","","94.85","0.07","90","","2648","9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.17 -","- C31 H34 N2 O6.17 -","- C124 H136 N8 O24.68 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1483","0.1065","","","0.19","0.2065","","","","","","1.073","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550114","11.369","0.004","17.66","0.006","13.539","0.005","90","","95.632","0.017","90","","2705.2","1.7","293.15","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.27 -","- C31 H34 N2 O6.27 -","- C124 H136 N8 O25.08 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1275","0.0894","","","0.1744","0.1899","","","","","","1.057","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550115","11.102","0.005","17.701","0.009","13.437","0.006","90","","94.667","0.018","90","","2632","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.46 -","- C31 H34 N2 O6.46 -","- C124 H136 N8 O25.84 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.107","0.0986","","","0.2434","0.2556","","","","","","1.003","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550116","11.41","0.004","17.772","0.006","13.55","0.005","90","","95.891","0.019","90","","2733.1","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2, 3-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.4 -","- C31 H34 N2 O6.4 -","- C124 H136 N8 O25.6 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.093","0.0753","","","0.1535","0.1627","","","","","","1.058","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550117","11.405","","17.746","","13.511","","90","","95.49","","90","","2721.99","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 6-dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.81 -","- C31 H34 N2 O6.81 -","- C124 H136 N8 O27.24 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.128","0.081","","","0.1985","0.2254","","","","","","1.104","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550118","11.246","0.01","17.607","0.016","13.523","0.013","90","","94.19","0.04","90","","2671","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-dihydroxybenzoic acid_Salt alloy","","","- C62 H68.91 N4 O13.03 -","- C62 H68.91 N4 O13.03 -","- C124 H137.82 N8 O26.06 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1804","0.0967","","","0.1676","0.1976","","","","","","1.038","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550119","11.319","0.002","17.672","0.004","13.391","0.003","90","0.03","93.9","0.03","90","0.03","2672.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0783","0.0718","","","0.1509","0.1541","","","","","","1.191","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550120","11.153","0.004","17.701","0.005","13.336","0.004","90","","95.232","0.017","90","","2621.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31.1 H33.33 N2 O6.35 -","- C31.1 H33.33 N2 O6.35 -","- C124.4 H133.32 N8 O25.4 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0823","0.0644","","","0.1626","0.1764","","","","","","1.169","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550121","11.404","0.005","17.591","0.008","13.269","0.006","90","","95.526","0.015","90","","2649","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.69 -","- C31 H34 N2 O6.69 -","- C124 H136 N8 O26.76 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1057","0.0837","","","0.1639","0.1752","","","","","","1.055","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550122","11.237","0.005","17.571","0.006","13.374","0.006","90","","94.584","0.016","90","","2632.2","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C62 H67.8 N4 O12.63 -","- C62 H67.8 N4 O12.63 -","- C124 H135.6 N8 O25.26 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0744","0.053","","","0.1337","0.153","","","","","","1.067","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550123","11.279","0.005","17.633","0.007","13.377","0.006","90","","94.51","0.02","90","","2652","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.49 -","- C31 H34 N2 O6.49 -","- C124 H136 N8 O25.96 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0872","0.0722","","","0.1544","0.1622","","","","","","1.188","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550124","11.074","0.002","17.895","0.003","14","0.002","90","","92.859","0.008","90","","2770.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2,4,6-trihydroxybenzoic acid salt","","","- C31 H34 N2 O8 -","- C31 H34 N2 O8 -","- C124 H136 N8 O32 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0643","0.0459","","","0.1221","0.142","","","","","","1.117","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550146","6.0671","0.0004","7.5611","0.0005","13.8523","0.0009","92.078","0.003","93.838","0.002","90.994","0.003","633.49","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","LQ5013","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.0486","0.0372","","","0.1107","0.1187","","","","","","1.044","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550147","6.113","0.0005","7.3809","0.0006","55.524","0.005","90","","90","","90","","2505.2","0.4","100","","100.03","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.1113","0.0612","","","0.1396","0.1604","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550148","6.113","0.0005","7.3809","0.0006","55.524","0.005","90","","90","","90","","2505.2","0.4","100","","100.03","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ketoprophen","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.094","0.038","","","","0.098","0.047","","","","","1.444","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1551110","8.0803","0.0002","13.8722","0.0004","14.7217","0.0004","90","","95.773","0.002","90","","1641.81","0.08","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N4 O5 -","- C18 H16 N4 O5 -","- C72 H64 N16 O20 -","4","1","","Sumitra N. Mangasuli; Kallappa M. Hosamani; Praveen B. Managutti","Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis","Heliyon","2019","5","","e01131","","10.1016/j.heliyon.2019.e01131","","x-ray","0.71073","MoKα","","0.0464","0.0385","","","0.1086","0.1135","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551111","8.5881","0.0003","24.4244","0.0008","11.4808","0.0004","90","","90","","90","","2408.2","0.14","130","2","130","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H28 Co N6 S4 -","- C16 H28 Co N6 S4 -","- C64 H112 Co4 N24 S16 -","4","0.5","","A. A. Bagabasa; M. Alsawalha; M. Sohail; S. Alhoshan; R. Arasheed","Synthesis, crystal structure, and characterization of cyclohexylammonium tetraisothiocyanatocobaltate(II): A single-source precursor for cobalt sulfide and oxide nanostructures","Heliyon","2019","5","","e01139","","10.1016/j.heliyon.2019.e01139","","","1.54178","CuKα","","0.053","0.0473","","","0.131","0.1368","","","","","","1.046","","","","has coordinates,has disorder","215450","2020-10-21","18:00:00",""
"1551334","28.107","0.005","6.679","0.0006","13.398","0.002","90","","117.776","0.013","90","","2225.4","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0764","0.0539","","","0.1286","0.1424","","","","","","1.107","","","","has coordinates,has disorder","215831","2020-10-21","18:00:00",""
"1551335","28.5038","0.0003","6.6628","0.0006","13.4137","0.0007","90","","117.232","0.002","90","","2265.1","0.2","173","","173","","","","","","","","MAT ETH Zurich","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.113","0.0808","","","0.2071","0.2282","","","","","","1.367","","","","has coordinates,has disorder","215832","2020-10-21","18:00:00",""
"1551336","7.2835","0.0002","12.3657","0.0004","24.4205","0.001","90","","90","","90","","2199.45","0.13","223","","223","","","","","","","","MAT ETH Zurich","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0756","0.0559","","","0.1501","0.1645","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551390","13.52","0.002","14.217","0.002","17.557","0.003","103.495","0.002","103.098","0.002","102.405","0.003","3065.8","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H65 N5 -","- C65 H65 N5 -","- C130 H130 N10 -","2","1","","Semin Lee; Chun-Hsing Chen; Amar H. Flood","A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes","Nature Chemistry","2013","5","","704","710","10.1038/nchem.1668","","","0.71073","MoKα","","0.1665","0.113","","0.4339","0.3528","0.4339","","","","","","0.9949","","","","has coordinates,has disorder","215919","2020-10-21","18:00:00",""
"1551391","17.781","0.003","18.62","0.003","31.361","0.005","74.262","0.008","76.314","0.009","66.192","0.007","9048","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C174 H196 N17 O13.5 P -","- C174 H196 N17 O13.5 P -","- C348 H392 N34 O27 P2 -","2","1","","Semin Lee; Chun-Hsing Chen; Amar H. Flood","A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes","Nature Chemistry","2013","5","","704","710","10.1038/nchem.1668","","","0.71073","MoKα","","0.2004","0.14","","0.3785","0.3307","0.3785","","","","","","0.9925","","","","has coordinates,has disorder","215920","2020-10-21","18:00:00",""
"1551419","10.5002","0.0007","10.3073","0.001","16.5868","0.0017","90","","93.853","0.008","90","","1791.1","0.3","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H50 N2 O11 -","- C37 H50 N2 O11 -","- C74 H100 N4 O22 -","2","1","","Russell R. A. Kitson; Chuan-Hsin Chang; Rui Xiong; Huw E. L. Williams; Adrienne L. Davis; William Lewis; Donna L. Dehn; David Siegel; S. Mark Roe; Chrisostomos Prodromou; David Ross; Christopher J. Moody","Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90","Nature Chemistry","2013","5","","307","314","10.1038/nchem.1596","","","1.5418","CuKα","","0.1233","0.0844","","","0.1962","0.2266","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551486","6.3339","0.001","15.5864","0.0014","17.6362","0.0017","88.14","0.008","83.243","0.011","78.306","0.01","1693","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 F4 I2 N6 O4 -","- C30 H32 F4 I2 N6 O4 -","- C60 H64 F8 I4 N12 O8 -","2","1","","Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed","Halogen-bonding-triggered supramolecular gel formation","Nature Chemistry","2013","5","","42","47","10.1038/nchem.1496","","","0.7107","MoKα","","0.1319","0.0689","","","0.1146","0.1529","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551487","4.6214","0.0007","9.4623","0.0015","28.332","0.005","90","","91.188","0.003","90","","1238.7","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F4 I2 N6 O2 -","- C22 H20 F4 I2 N6 O2 -","- C44 H40 F8 I4 N12 O4 -","2","0.5","","Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed","Halogen-bonding-triggered supramolecular gel formation","Nature Chemistry","2013","5","","42","47","10.1038/nchem.1496","","","0.7107","MoKα","","0.051855","0.043799","","","","0.070696","","","","","","1.28163","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551489","10.181","0.002","16.443","0.003","18.458","0.005","72.977","0.017","83.516","0.018","72.387","0.015","2815.1","1.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H34 Cl8 -","- C84 H34 Cl8 -","- C168 H68 Cl16 -","2","1","","Katsuaki Kawasumi; Qianyan Zhang; Yasutomo Segawa; Lawrence T. Scott; Kenichiro Itami","A grossly warped nanographene and the consequences of multiple odd-membered-ring defects","Nature Chemistry","2013","5","","739","744","10.1038/nchem.1704","","","0.71075","MoKα","","0.2215","0.1222","","","0.3111","0.3814","","","","","","1.051","","","","has coordinates,has disorder","288183","2023-12-08","14:42:10",""
"1551546","9.414","0.0002","9.4615","0.0002","23.4843","0.0005","87.8308","0.0017","79.2432","0.0018","63.911","0.002","1843.3","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H54 N2 O3 -","- C43 H54 N2 O3 -","- C86 H108 N4 O6 -","2","1","","Lixu Yang; Catherine Adam; Gary S. Nichol; Scott L. Cockroft","How much do van der Waals dispersion forces contribute to molecular recognition in solution?","Nature Chemistry","2013","5","","1006","1010","10.1038/nchem.1779","","","1.54184","CuKα","","0.0675","0.0656","","","0.1689","0.1706","","","","","","1.038","","","","has coordinates,has disorder","216156","2020-10-21","18:00:00",""
"1551874","20.4825","0.0007","14.8334","0.0005","25.3877","0.0009","90","","96.261","0.002","90","","7667.4","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gd2C2@C84.Ni(OEP).1.75toluene.0.25benzene","","","- C135.75 H59.5 Gd2 N4 Ni -","- C135.75 H59.5 Gd2 N4 Ni -","- C543 H238 Gd8 N16 Ni4 -","4","1","","Jianyuan Zhang; Faye L. Bowles; Daniel W. Bearden; W. Keith Ray; Tim Fuhrer; Youqing Ye; Caitlyn Dixon; Kim Harich; Richard F. Helm; Marilyn M. Olmstead; Alan L. Balch; Harry C. Dorn","A missing link in the transformation from asymmetric to symmetric metallofullerene cages implies a top-down fullerene formation mechanism","Nature Chemistry","2013","5","","880","885","10.1038/nchem.1748","","","0.7749","synchrotron","","0.1632","0.1154","","","0.3045","0.3286","","","","","","1.821","","","","has coordinates,has disorder","216515","2020-10-21","18:00:00",""
"1551875","19.853","0.0011","42.232","0.002","14.782","0.0012","90","","90","","90","","12393.7","1.4","133","2","133","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C29 H46 Ir N5 P2 -","- C29 H46 Ir N5 P2 -","- C464 H736 Ir16 N80 P32 -","16","1","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.081","0.0641","","","0.1434","0.1499","","","","","","0.98","","","","has coordinates","216516","2020-10-21","18:00:00",""
"1551876","23.001","0.0004","23.001","0.0004","17.621","0.0003","90","","90","","120","","8073.4","0.2","133","2","133","2","","","","","","","","5","P 32","P 32","145","","","","- C33 H47 Ir N5 P2 -","- C33 H47 Ir N5 P2 -","- C297 H423 Ir9 N45 P18 -","9","3","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.0328","0.0303","","","0.0641","0.0647","","","","","","0.958","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551877","28.3772","0.0019","35.137","0.002","21.3407","0.0013","90","","90","","90","","21279","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C114.75 H141 N12 -","- C114.695 H102 N12 -","- C917.56 H816 N96 -","8","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1155","0.106","","","0.3005","0.3055","","","","","","2.345","","","","has coordinates,has disorder","216519","2020-10-21","18:00:00",""
"1551878","20.515","0.003","28.04","0.004","35.607","0.005","90","","90","","90","","20483","5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C108 H129 N12 -","- C107.995 H116.5 N12 -","- C863.96 H932 N96 -","8","2","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1101","0.0785","","","0.1999","0.2184","","","","","","1.286","","","","has coordinates,has disorder","216520","2020-10-21","18:00:00",""
"1551879","17.5354","0.001","18.0598","0.0011","24.493","0.002","90","","90.554","0.001","90","","7756.2","0.9","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C88 H104 N12 -","- C86.396 H101.995 N12 -","- C345.584 H407.98 N48 -","4","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.0715","0.0558","","","0.1444","0.1533","","","","","","1.048","","","","has coordinates,has disorder","216521","2020-10-21","18:00:00",""
"1551880","17.701","0.0009","18.026","0.0009","24.9002","0.0018","90","","90.293","0.001","90","","7945","0.8","295","2","295","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C88 H104 N12 -","- C86.488 H102.11 N12 -","- C345.952 H408.44 N48 -","4","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.0677","0.0522","","","0.1414","0.1518","","","","","","1.035","","","","has coordinates,has disorder","216522","2020-10-21","18:00:00",""
"1551881","7.4574","0.0004","5.66","0.0003","19.1444","0.0011","90","","97.282","0.001","90","","801.55","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16.19 Br N2 O1.6 -","- C18 H16.192 Br N2 O1.596 -","- C36 H32.384 Br2 N4 O3.192 -","2","1","","Ling Li; Chao-Yuan Wang; Rongcai Huang; Mark R. Biscoe","Stereoretentive Pd-catalysed Stille cross-coupling reactions of secondary alkyl azastannatranes and aryl halides","Nature Chemistry","2013","5","","607","612","10.1038/nchem.1652","","","0.71073","MoKα","","0.0265","0.0236","","","0.0553","0.0564","","","","","","1.048","","","","has coordinates","216523","2020-10-21","18:00:00",""
"1552029","13.8326","0.0004","28.3948","0.0005","15.8845","0.0004","90","","109.685","0.003","90","","5874.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H57 Cl6 O3 Os P3 -","- C65 H57 Cl6 O3 Os P3 -","- C260 H228 Cl24 O12 Os4 P12 -","4","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0405","0.0267","","","0.0488","0.0502","","","","","","0.909","","","","has coordinates","216838","2020-10-21","18:00:00",""
"1552030","13.8145","0.0006","15.1705","0.0006","17.3902","0.0006","80.617","0.003","81.263","0.003","63.058","0.004","3192.9","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H58 B2 Cl5 F8 O3 Os P3 -","- C65 H58 B2 Cl5 F8 O3 Os P3 -","- C130 H116 B4 Cl10 F16 O6 Os2 P6 -","2","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0749","0.0456","","","0.0697","0.0726","","","","","","0.997","","","","has coordinates","216839","2020-10-21","18:00:00",""
"1552031","13.501","0.0003","11.592","0.0003","41.963","0.001","90","","93.416","0.002","90","","6555.7","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H60 B Cl5.5 F4 O2 Os P3 S -","- C67.5 H60 B Cl5.5 F4 O2 Os P3 S -","- C270 H240 B4 Cl22 F16 O8 Os4 P12 S4 -","4","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0849","0.065","","","0.1197","0.1264","","","","","","1.189","","","","has coordinates","216840","2020-10-21","18:00:00",""
"1552032","11.9255","0.0006","16.0492","0.0008","16.8145","0.0009","66.863","0.005","80.698","0.004","80.809","0.004","2904","0.3","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H58 B Cl F4 N O2 Os P3 -","- C70 H58 B Cl F4 N O2 Os P3 -","- C140 H116 B2 Cl2 F8 N2 O4 Os2 P6 -","2","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0782","0.0557","","","0.0981","0.1111","","","","","","0.911","","","","has coordinates","216841","2020-10-21","18:00:00",""
"1552038","11.6074","0.0007","27.348","0.0014","15.1345","0.0009","90","","97.21","0.003","90","","4766.3","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 B Cl2 Fe2 N O S2 -","- C52 H58 B Cl2 Fe2 N O S2 -","- C208 H232 B4 Cl8 Fe8 N4 O4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0559","0.0384","","","0.0935","0.1003","","","","","","1.047","","","","has coordinates","216856","2020-10-21","18:00:00",""
"1552039","10.788","0.0003","15.1458","0.0005","16.0306","0.0006","85.671","0.002","80.231","0.002","70.333","0.002","2430.25","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Fe2 S2 -","- C26 H34 Fe2 S2 -","- C104 H136 Fe8 S8 -","4","2","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0337","0.0286","","","0.0722","0.0745","","","","","","1.049","","","","has coordinates","216857","2020-10-21","18:00:00",""
"1552040","10.782","0.008","11.971","0.009","27.44","0.02","90","","97.181","0.009","90","","3514","5","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F6 Fe2 N2 O P S2 -","- C30 H44 F6 Fe2 N2 O P S2 -","- C120 H176 F24 Fe8 N8 O4 P4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0587","0.0447","","","0.1391","0.1489","","","","","","1.076","","","","has coordinates","216858","2020-10-21","18:00:00",""
"1552041","20.976","0.014","8.383","0.005","15.189","0.01","90","","90","","90","","2671","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C27 H38 Fe2 N2 S2 -","- C27 H37 Fe2 N2 S2 -","- C108 H148 Fe8 N8 S8 -","4","0.5","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0748","0.0493","","","0.1297","0.1427","","","","","","1.05","","","","has coordinates","216859","2020-10-21","18:00:00",""
"1552042","11.8105","0.0015","21.889","0.003","12.4062","0.0016","90","","105.239","0.001","90","","3094.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 F6 Fe2 N2 P S2 -","- C27 H38 F6 Fe2 N2 P S2 -","- C108 H152 F24 Fe8 N8 P4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.049","0.0409","","","0.1198","0.1254","","","","","","1.059","","","","has coordinates","216860","2020-10-21","18:00:00",""
"1552043","13.0962","0.0003","17.5004","0.0004","19.4221","0.0004","113.607","0.002","96.424","0.002","108.902","0.002","3705.95","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H65 B F24 Fe2 N2 O2 S2 -","- C66 H65 B F24 Fe2 N2 O2 S2 -","- C132 H130 B2 F48 Fe4 N4 O4 S4 -","2","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1395","0.0685","","","0.1777","0.1932","","","","","","0.958","","","","has coordinates,has disorder","216861","2020-10-21","18:00:00",""
"1552044","12.79","0.005","9.938","0.004","36.438","0.013","90","","100.079","0.004","90","","4560","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H59 B Fe2 N2 S2 -","- C51 H59 B Fe2 N2 S2 -","- C204 H236 B4 Fe8 N8 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1022","0.0518","","","0.1145","0.1297","","","","","","0.962","","","","has coordinates","216862","2020-10-21","18:00:00",""
"1552045","12.471","0.0003","19.5462","0.0005","18.2725","0.0005","90","","90.138","0.002","90","","4454.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B Fe2 N S2 -","- C50 H56 B Fe2 N S2 -","- C200 H224 B4 Fe8 N4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0608","0.0456","","","0.1281","0.1374","","","","","","1.072","","","","has coordinates","216863","2020-10-21","18:00:00",""
"1552046","12.5508","0.0005","19.5577","0.0008","18.2624","0.0007","90","","90.383","0.003","90","","4482.7","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 B Fe2 N S2 -","- C51 H58 B Fe2 N S2 -","- C204 H232 B4 Fe8 N4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1322","0.0704","","","0.1859","0.2075","","","","","","1.079","","","","has coordinates","216864","2020-10-21","18:00:00",""
"1552050","8.246","0.0016","16.988","0.003","16.411","0.003","90","","101.3","0.03","90","","2254.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N2 O3 P Ru -","- C22 H31 N2 O3 P Ru -","- C88 H124 N8 O12 P4 Ru4 -","4","1","","Ekambaram Balaraman; Eugene Khaskin; Gregory Leitus; David Milstein","Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source","Nature Chemistry","2013","5","","122","125","10.1038/nchem.1536","","","0.71073","MoKα","","0.064","0.0512","","","0.1049","0.11","","","","","","1.113","","","","has coordinates,has disorder","216868","2020-10-21","18:00:00",""
"1552063","8.0123","0.0004","9.5367","0.0005","12.5723","0.0007","76.698","0.004","83.324","0.004","77.616","0.004","910.87","0.09","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","1","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0465","0.0401","","","0.0962","0.1031","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552064","25.835","0.005","10.3517","0.0019","7.2252","0.0013","90","","102.657","0.002","90","","1885.3","0.6","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 Br N O6 -","- C18 H22 Br N O6 -","- C72 H88 Br4 N4 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0412","0.0332","","","0.0734","0.076","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552065","6.891","0.004","9.592","0.006","10.273","0.007","102.611","0.007","90.215","0.007","106.979","0.007","632.1","0.7","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C24 H32 O12 -","2","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0436","0.0371","","","0.0938","0.0978","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552066","9.695","0.002","13.257","0.003","12.556","0.003","90","","106.298","0.003","90","","1548.9","0.6","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0382","0.0323","","","0.081","0.087","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552067","8.9133","0.0003","12.178","0.0005","12.9803","0.0005","90","","90","","90","","1408.96","0.09","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0335","0.0309","","","0.0823","0.0833","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552068","6.8942","0.0016","8.0356","0.0018","23.889","0.005","90","","90.741","0.011","90","","1323.3","0.5","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0901","0.0776","","","0.2129","0.2188","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552069","7.7457","0.0016","12.057","0.003","14.063","0.003","90","","98.045","0.002","90","","1300.4","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C52 H64 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.042","0.036","","","0.0952","0.1003","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552070","6.1277","0.0008","7.5181","0.0009","10.9862","0.0014","91.291","0.009","98.594","0.009","91.918","0.01","499.96","0.11","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C22 H24 O10 -","2","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0404","0.034","","","0.0922","0.0943","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552071","5.6893","0.0005","10.7024","0.0011","12.4002","0.0012","90","","95.454","0.006","90","","751.62","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.06","0.046","","","0.1087","0.1126","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552077","18.868","0.007","14.993","0.006","23.283","0.009","90","","107.387","0.006","90","","6286","4","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 F6 N6 O10 Pd2 S2 -","- C48 H64 F6 N6 O10 Pd2 S2 -","- C192 H256 F24 N24 O40 Pd8 S8 -","4","0.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.1522","0.075","","","0.1959","0.2223","","","","","","0.9","","","","has coordinates","216896","2020-10-21","18:00:00",""
"1552078","32.76","0.004","32.76","0.004","35.29","0.004","90","","90","","90","","37874","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C264 H280 N32 O16 Pd8 Zn2 -","- C11.234 H11.9149 N1.3617 O0.680851 Pd0.340426 Zn0.0851064 -","- C528 H560 N64 O32 Pd16 Zn4 -","47","2.9375","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.2777","0.2481","","","0.4594","0.4865","","","","","","3.84","","","","has coordinates","216897","2020-10-21","18:00:00",""
"1552079","32.16","","32.16","","34.85","","90","","90","","90","","36044.2","","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C340 H280 N32 O16 Pd8 Zn2 -","- C28.3333 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C680 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3349","0.267","","","0.4862","0.5691","","","","","","2.623","","","","has coordinates,has disorder","216898","2020-10-21","18:00:00",""
"1552080","32.202","0.004","32.202","0.004","34.972","0.005","90","","90","","90","","36265","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C380 H280 N23 O16 Pd8 Z -","- C31.6667 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C760 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3899","0.301","","","0.4971","0.5571","","","","","","2.922","","","","has coordinates,has disorder","216899","2020-10-21","18:00:00",""
"1553077","16.0231","0.0006","19.3117","0.0007","32.4862","0.0011","90","","91.744","0.002","90","","10047.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Br2 Co N4 O4 -","- C48 H82 Br2 Co N4 O4 -","- C384 H656 Br16 Co8 N32 O32 -","8","2","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.1685","0.0763","","","0.1918","0.229","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553078","10.7544","0.0007","28.8912","0.0018","18.3199","0.0011","90","","97.037","0.001","90","","5649.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Br2 Co N5 O5 -","- C54 H92 Br2 Co N5 O5 -","- C216 H368 Br8 Co4 N20 O20 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.1103","0.0658","","","0.1542","0.1756","","","","","","1.037","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553079","18.491","0.0011","8.1781","0.0004","21.8017","0.0013","90","","93.873","0.003","90","","3289.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H46 Br2 Co N3 O4 -","- C32 H44 Br2 Co N3 O4 -","- C128 H176 Br8 Co4 N12 O16 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.0515","0.0319","","","0.0702","0.0767","","","","","","1.039","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553080","10.4432","0.0007","13.5068","0.0008","39.638","0.002","90","","95.944","0.004","90","","5561","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Br2 Co N4 O4 -","- C56 H82 Br2 Co N4 O4 -","- C224 H328 Br8 Co4 N16 O16 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","mokα","","0.1246","0.0826","","","0.2019","0.2241","","","","","","1.105","","","","has coordinates,has disorder","233271","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","301780","2025-08-18","21:43:29",""
"1553082","9.28","0.002","12.256","0.003","18.651","0.004","98.324","0.003","91.537","0.003","106.636","0.003","2005.9","0.8","168.15","","168.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Co N P2 Si2 -","- C42 H48 Co N P2 Si2 -","- C84 H96 Co2 N2 P4 Si4 -","2","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","","0.0765","0.0504","","","0.1305","0.149","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553856","12.0438","0.0011","14.5042","0.0014","22.049","0.003","72.623","0.005","76.291","0.005","77.888","0.005","3530.8","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Benzoxymethoxy Pillerene","","","- C81 H82 O10 -","- C81 H82 O10 -","- C162 H164 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.2028","0.1038","","","0.2834","0.3483","","","","","","1.001","","","","has coordinates,has disorder","236101","2020-10-21","18:00:00",""
"1553857","12.791","0.004","20.978","0.007","14.779","0.004","90","","98.582","0.007","90","","3921","2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0801","","","","0.232","","","","","","0.967","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553858","13.633","0.004","15.357","0.004","20.965","0.005","91.591","0.007","94.087","0.007","111.251","0.008","4073.6","1.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C90 H125 N3 O10 -","- C90 H125 N3 O10 -","- C180 H250 N6 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0506","","","","0.1486","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553859","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553860","14.89","0.008","18.123","0.008","21.671","0.01","81.371","0.006","82.134","0.009","87.707","0.013","5726","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","OctoxyBenzoxyPillerene_3","","","- C119 H158 Cl9 O10 -","- C119 H158 Cl9 O10 -","- C238 H316 Cl18 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.1761","0.111","","","0.3038","0.3479","","","","","","1.042","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553861","43.045","0.01","21.347","0.005","23.043","0.005","90","","104.773","0.007","90","","20474","8","150","2","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C110 H140 O10 -","- C110 H140 O10 -","- C880 H1120 O80 -","8","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.2489","0.148","","","0.3802","0.4289","","","","","","1.094","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553862","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C82 H85 O12 -","- C82 H85 O12 -","- C328 H340 O48 -","4","2","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553863","16.619","0.003","16.686","0.003","16.858","0.003","95.191","0.007","117.822","0.009","114.325","0.008","3527.9","1.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.1159","","","","0.3888","","","","","","0.799","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553864","12.31","0.03","16.48","0.04","18.98","0.04","83.427","0.016","80.887","0.014","69.254","0.017","3548","14","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C81 H84 O10 -","- C81 H84 O10 -","- C162 H168 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0892","","","","0.3047","","","","","","1.018","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553865","12.2178","0.001","15.0675","0.0014","20.9593","0.0017","78.186","0.006","85.869","0.006","67.284","0.005","3483.6","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H86 Cl2 O10 -","- C82 H86 Cl2 O10 -","- C164 H172 Cl4 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.1051","","","","0.3493","","","","","","1.293","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553872","12.1518","0.0014","12.3848","0.0015","19.412","0.002","90","","90","","90","","2921.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 I N3 O5 -","- C30 H30 I N3 O5 -","- C120 H120 I4 N12 O20 -","4","1","","Zhu, Jing-Yan; Yang, Wu-Lin; Liu, Yang-Zi; Shang, Shao-Jing; Deng, Wei-Ping","A copper(i)-catalyzed asymmetric Mannich reaction of glycine Schiff bases with isatin-derived ketimines: enantioselective synthesis of 3-substituted 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","1","70","","10.1039/C7QO00691H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0775","0.0799","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553873","6.1598","0.0003","8.133","0.0004","31.1006","0.0015","90","","90","","90","","1558.07","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 S -","- C13 H23 N O4 S -","- C52 H92 N4 O16 S4 -","4","1","","Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters","Organic Chemistry Frontiers","2018","5","1","36","","10.1039/C7QO00692F","","x-ray","0.71073","MoKα","","0.0588","0.0466","","","0.0947","0.1025","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553874","7.9925","0.0003","13.9906","0.0004","19.0487","0.0006","90","","90","","90","","2130.02","0.12","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters","Organic Chemistry Frontiers","2018","5","1","36","","10.1039/C7QO00692F","","","0.71073","MoKα","","0.0451","0.0389","","","0.0939","0.098","","","","","","1.113","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553880","3.8516","0.0002","11.2844","0.0004","21.4208","0.0008","90","","89.074","0.003","90","","930.89","0.07","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","","Ledovskaya, Maria S.; Rodygin, Konstantin S.; Ananikov, Valentine P.","Calcium-mediated one-pot preparation of isoxazoles with deuterium incorporation","Organic Chemistry Frontiers","2018","5","2","226","","10.1039/C7QO00705A","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553883","10.8597","0.0007","13.0923","0.0008","18.0508","0.0012","75.984","0.002","74.865","0.002","66.722","0.002","2247.6","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H60 N2 P Sc Si2 -","- C43 H60 N2 P Sc Si2 -","- C86 H120 N4 P2 Sc2 Si4 -","2","1","","Gao, Hongjie; Su, Jianhong; Xu, Pengfei; Xu, Xin","Scandium-catalyzed C(sp3)‒H alkylation of N,N-dimethyl anilines with alkenes","Organic Chemistry Frontiers","2018","5","1","59","","10.1039/C7QO00718C","","","0.71073","MoKα","","0.09","0.0474","","","0.1213","0.1448","","","","","","1.07","","","","has coordinates","236120","2020-10-21","18:00:00",""
"1553884","8.859","0.0015","21.377","0.004","8.0979","0.0014","90","","106.44","0.004","90","","1470.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","1","","Zang, Wenqing; Wei, Yin; Shi, Min","Gold(i) catalyzed cascade cyclization: intramolecular two-fold nucleophilic addition to vinylidenecyclopropanes (VDCPs)","Organic Chemistry Frontiers","2018","5","2","197","","10.1039/C7QO00722A","","","0.71073","MoKα","","0.0664","0.0449","","","0.115","0.1272","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553885","6.059","0.0012","8.893","0.0018","13.346","0.003","91.59","0.03","93.75","0.03","108.42","0.03","679.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 O2 -","- C15 H12 Cl2 O2 -","- C30 H24 Cl4 O4 -","2","1","","Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian","An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes","Organic Chemistry Frontiers","2018","5","4","561","","10.1039/C7QO00726D","","","0.71073","MoKα","","0.0734","0.0514","","","0.1484","0.166","","","","","","1.004","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553886","8.26","0.0017","10.221","0.002","10.602","0.002","102.5","0.03","107.52","0.03","109.03","0.03","756.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C36 H40 O4 -","2","1","","Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian","An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes","Organic Chemistry Frontiers","2018","5","4","561","","10.1039/C7QO00726D","","","0.71073","MoKα","","0.0901","0.0617","","","0.168","0.1912","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553887","17.558","0.0012","9.331","0.0006","9.8891","0.0006","90","","91.367","0.002","90","","1619.71","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Sun, Deli; Zhang, Ronghua","Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides","Organic Chemistry Frontiers","2018","5","1","92","","10.1039/C7QO00729A","","","0.71073","MoKα","","0.067","0.0466","","","0.1158","0.1264","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553888","15.8995","0.0014","8.3725","0.0008","9.9537","0.0009","90","","100.406","0.003","90","","1303.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Sun, Deli; Zhang, Ronghua","Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides","Organic Chemistry Frontiers","2018","5","1","92","","10.1039/C7QO00729A","","","0.71073","MoKα","","0.0959","0.0708","","","0.1171","0.1261","","","","","","1.155","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553889","13.2285","0.0011","9.3407","0.0008","14.9536","0.0012","90","","95.087","0.001","90","","1840.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O3 S -","- C18 H17 Cl N2 O3 S -","- C72 H68 Cl4 N8 O12 S4 -","4","1","","Jiang, Dong-Fang; Hu, Jie-Yu; Hao, Wen-Juan; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Tunable Cu(i)-catalyzed site-selective dehydrogenative amination of β,γ-unsaturated hydrazones for divergent synthesis of pyrazol-4-ones and 1,6-dihydropyradazines","Organic Chemistry Frontiers","2018","5","2","189","","10.1039/C7QO00743D","","","0.71073","MoKα","","0.1116","0.0511","","","0.15","0.2046","","","","","","0.943","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553890","11.6687","0.0009","8.7574","0.0006","17.8369","0.0015","90","","96.512","0.001","90","","1810.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl2 N2 O2 S -","- C17 H14 Cl2 N2 O2 S -","- C68 H56 Cl8 N8 O8 S4 -","4","1","","Jiang, Dong-Fang; Hu, Jie-Yu; Hao, Wen-Juan; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Tunable Cu(i)-catalyzed site-selective dehydrogenative amination of β,γ-unsaturated hydrazones for divergent synthesis of pyrazol-4-ones and 1,6-dihydropyradazines","Organic Chemistry Frontiers","2018","5","2","189","","10.1039/C7QO00743D","","","0.71073","MoKα","","0.1131","0.0508","","","0.0895","0.1018","","","","","","0.996","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553891","10.5217","0.0013","14.8118","0.0018","29.451","0.003","90","","94.42","0.003","90","","4576.1","0.9","128","2","128","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 N O1.5 P -","- C27 H35 N O1.5 P -","- C216 H280 N8 O12 P8 -","8","1","","Wang, Huanan; Li, Shuaiqi; Wang, Baiquan; Li, Bin","The regioselective synthesis of 2-phosphinoylindoles via Rh(iii)-catalyzed C‒H activation","Organic Chemistry Frontiers","2018","5","1","88","","10.1039/C7QO00746A","","","0.71073","MoKα","","0.0427","0.0357","","","0.0934","0.0968","","","","","","1.057","","","","has coordinates","236129","2020-10-21","18:00:00",""
"1553892","24.609","0.006","9.508","0.002","21.415","0.005","90","","115.972","0.004","90","","4504.7","1.8","213","2","213.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N O2 P -","- C28 H24 N O2 P -","- C224 H192 N8 O16 P8 -","8","1","","Wang, Huanan; Li, Shuaiqi; Wang, Baiquan; Li, Bin","The regioselective synthesis of 2-phosphinoylindoles via Rh(iii)-catalyzed C–H activation","Organic Chemistry Frontiers","2018","5","1","88","","10.1039/C7QO00746A","","","0.71073","MoKα","","0.0569","0.0471","","","0.132","0.1488","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553893","11.707","0.005","16.717","0.007","15.157","0.007","90","","96.39","0.007","90","","2948","2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Au F3 N4 O3 P S -","- C30 H23 Au F3 N4 O3 P S -","- C120 H92 Au4 F12 N16 O12 P4 S4 -","4","1","","Huang, Ronghui; Yang, Yongchun; Wang, Duo-Sheng; Zhang, Liang; Wang, Dawei","Where does Au coordinate to N-(2-pyridiyl)benzotriazole: gold-catalyzed chemoselective dehydrogenation and borrowing hydrogen reactions","Organic Chemistry Frontiers","2018","5","2","203","","10.1039/C7QO00756F","","","0.71073","MoKα","","0.0791","0.046","","","0.1132","0.1336","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553894","10.31419","0.00017","19.2062","0.0003","11.0205","0.0002","90","","109.532","0.002","90","","2057.49","0.07","135","","135","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C96 H80 N8 O20 -","4","2","","Ruan, Sai; Lin, Xiaobin; Xie, Lihua; Lin, Lili; Feng, Xiaoming; Liu, Xiaohua","Asymmetric synthesis of 3-aminodihydrocoumarins via the chiral guanidine catalyzed cascade reaction of azlactones","Organic Chemistry Frontiers","2018","5","1","32","","10.1039/C7QO00768J","","x-ray","1.54184","CuKα","","0.0427","0.0414","","","0.1079","0.1097","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553895","8.7889","0.0018","8.9182","0.0018","22.444","0.005","90","","91.02","0.03","90","","1758.9","0.6","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9b-(2-bromobenzyl)-5-methyl-5,9b-dihydropyrrolizino[3,2-b]indol-10(4aH)-one","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Zhang, Qianqian; Song, Chuanjun; Huang, He; Zhang, Kun; Chang, Junbiao","Cesium carbonate promoted cascade reaction involving DMF as a reactant for the synthesis of dihydropyrrolizino[3,2-b]indol-10-ones","Organic Chemistry Frontiers","2018","5","1","80","","10.1039/C7QO00771J","","","0.71073","MoKα","","0.119","0.0742","","","0.2136","0.2675","","","","","","1.095","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1553896","9.8465","0.0005","26.3558","0.0014","9.9725","0.0005","90","","104.267","0.002","90","","2508.2","0.2","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","2","","Zhang, Qianqian; Song, Chuanjun; Huang, He; Zhang, Kun; Chang, Junbiao","Cesium carbonate promoted cascade reaction involving DMF as a reactant for the synthesis of dihydropyrrolizino[3,2-b]indol-10-ones","Organic Chemistry Frontiers","2018","5","1","80","","10.1039/C7QO00771J","","","1.54178","CuKα","","0.0474","0.042","","","0.1109","0.1155","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553897","18.1727","0.0015","10.5743","0.0009","23.813","0.0019","90","","90","","90","","4576","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl F3 N2 O3 -","- C23 H20 Cl F3 N2 O3 -","- C184 H160 Cl8 F24 N16 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","2","210","","10.1039/C7QO00772H","","","0.71073","MoKα","","0.1089","0.0596","","","0.1255","0.1478","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553898","18.416","0.005","11.31","0.003","9.759","0.003","90","","93.907","0.007","90","","2027.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","2","210","","10.1039/C7QO00772H","","","0.71073","MoKα","","0.0672","0.0457","","","0.1271","0.1398","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553899","5.36821","0.00006","11.71337","0.00015","21.6232","0.0003","90","","90","","90","","1359.66","0.03","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","(2R,4S,5R)-3-(Hydroxymethyl)-8,8-dimethyl-2-(thiophen-2-yl)-7-oxa-1-azaspiro[4.4]nonan-6-one","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Reboredo, Silvia; García-Marijuan, Ainara; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Ugarriza, Iratxe; Vicario, Jose L.","Highly diastereoselective C → N acyl rearrangement in polysubstituted pyrrolidine 2,2-dicarboxylates. Stereocontrolled synthesis of densely functionalized prolines","Organic Chemistry Frontiers","2018","5","6","933","","10.1039/C7QO00793K","","x-ray","1.54184","CuKα","","0.0263","0.0254","","","0.0615","0.062","","","","","","1.079","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553900","9.673","0.0007","11.975","0.0008","10.6305","0.0008","90","","96.144","0.002","90","","1224.3","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C52 H52 Br4 N8 O4 -","4","1","","Zhao, He; Chen, Xiuwen; Jiang, Huanfeng; Zhang, Min","Copper-catalysed dehydrogenative α-C(sp3)–H amination of tetrahydroquinolines with O-benzoyl hydroxylamines","Organic Chemistry Frontiers","2018","5","4","539","","10.1039/C7QO00794A","","","0.71073","MoKα","","0.0725","0.0383","","","0.0891","0.1042","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553901","6.5337","0.0001","8.4509","0.0001","26.0879","0.0003","90","","90","","90","","1440.46","0.03","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((1R,5R)-1-hydroxy-3-oxo-5-phenylcyclohexyl)pyridine 1-oxide","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Xu, Youguo; Zhang, Sheng; Li, Lijun; Wang, Yukang; Zha, Zhenggen; Wang, Zhiyong","l-Phenylalanine potassium catalyzed asymmetric formal [3 + 3] annulation of 2-enoyl-pyridine N-oxides with acetone","Organic Chemistry Frontiers","2018","5","3","376","","10.1039/C7QO00796E","","","1.54184","CuKα","","0.0349","0.0324","","","0.0876","0.0987","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553902","18.4928","0.0016","11.5835","0.0008","11.4759","0.0008","90","","90","","90","","2458.3","0.3","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H36 Br Cl3 Fe N -","- C16 H36 Br Cl3 Fe N -","- C64 H144 Br4 Cl12 Fe4 N4 -","4","0.5","","Li, Sanliang; Zhu, Bo; Lee, Richmond; Qiao, Baokun; Jiang, Zhiyong","Visible light-induced selective aerobic oxidative transposition of vinyl halides using a tetrahalogenoferrate(iii) complex catalyst","Organic Chemistry Frontiers","2018","5","3","380","","10.1039/C7QO00798A","","x-ray","1.54184","CuKα","","0.0724","0.0426","","","0.1123","0.1363","","","","","","1.026","","","","has coordinates,has disorder","236146","2020-10-21","18:00:00",""
"1553903","10.4684","0.0007","7.428","0.0004","18.7773","0.0011","90","","90.086","0.003","90","","1460.11","0.15","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 F -","- C24 H13 F -","- C96 H52 F4 -","4","1","","Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation","Organic Chemistry Frontiers","2018","5","3","398","","10.1039/C7QO00799J","","x-ray","0.71073","MoKα","","0.0962","0.0647","","","0.1592","0.1789","","","","","","1.047","","","","has coordinates,has disorder","236148","2020-10-21","18:00:00",""
"1553904","16.8237","0.0012","11.333","0.0007","10.2994","0.0008","90","","114.382","0.003","90","","1788.6","0.2","150","","150","","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Cl2 -","- C24 H14 Cl2 -","- C96 H56 Cl8 -","4","0.5","","Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation","Organic Chemistry Frontiers","2018","5","3","398","","10.1039/C7QO00799J","","x-ray","0.71073","MoKα","","0.0404","0.0331","","","0.0828","0.0889","","","","","","1.039","","","","has coordinates","236148","2020-10-21","18:00:00",""
"1553905","17.47","0.004","5.702","0.0013","20.396","0.005","90","","114.211","0.004","90","","1853","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(4-julolidylidene)-4-phenylthiosemicarbazide","","","- C20 H22 N4 S -","- C20 H22 N4 S -","- C80 H88 N16 S4 -","4","1","","Amendola, Valeria; Boiocchi, Massimo; Fabbrizzi, Luigi; La Cognata, Sonia; Legnani, Laura; Lo Presti, Eliana; Mangano, Carlo; Miljkovic, Ana","Anion-induced isomerization of fluorescent semi(thio)carbazones","Organic Chemistry Frontiers","2018","5","3","391","","10.1039/C7QO00805H","","","0.7107","MoKα","","0.1167","0.0691","","","0.1993","0.2389","","","","","","1.004","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553906","17.0278","0.0009","8.4534","0.0005","14.668","0.0008","90","","110.034","0.002","90","","1983.59","0.19","301","2","301.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Shen, Hong-Qiang; Liu, Cong; Zhou, Ji; Zhou, Yong-Gui","Enantioselective palladium-catalyzed C–H functionalization of pyrroles using an axially chiral 2,2′-bipyridine ligand","Organic Chemistry Frontiers","2018","5","4","611","","10.1039/C7QO00815E","","","1.54178","CuKα","","0.0703","0.064","","","0.1766","0.1844","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553907","16.1979","0.0011","9.8887","0.0007","17.2384","0.0015","90","","100.854","0.002","90","","2711.8","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","FeCl2-OIP-iPr","","- C25.5 H35 Cl2 Fe N3 O1.5 -","- C25.5 H35 Cl2 Fe N3 O1.5 -","- C102 H140 Cl8 Fe4 N12 O6 -","4","2","","Chen, Jianhui; Xi, Tuo; Lu, Zhan","10 gram-scale synthesis of a chiral oxazoline iminopyridine ligand and its applications","Organic Chemistry Frontiers","2018","5","2","247","","10.1039/C7QO00816C","","","0.71073","MoKα","","0.1689","0.0788","","","0.1317","0.1638","","","","","","1","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553908","8.277","0.002","19.206","0.006","11.294","0.004","90","","93.738","0.006","90","","1791.6","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Br O2 -","- C21 H19 Br O2 -","- C84 H76 Br4 O8 -","4","1","","Qi, Jifeng; Zheng, Jing; Cui, Sunliang","Facile synthesis of carbo- and heterocycles via Fe(iii)-catalyzed alkene hydrofunctionalization","Organic Chemistry Frontiers","2018","5","2","222","","10.1039/C7QO00817A","","","0.71073","MoKα","","0.1121","0.05","","","0.0829","0.1024","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553909","8.914","0.01","9.542","0.011","13.652","0.015","86.106","0.014","80.322","0.012","67.976","0.012","1061","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O2 -","- C26 H28 O2 -","- C52 H56 O4 -","2","1","","Qi, Jifeng; Zheng, Jing; Cui, Sunliang","Facile synthesis of carbo- and heterocycles via Fe(iii)-catalyzed alkene hydrofunctionalization","Organic Chemistry Frontiers","2018","5","2","222","","10.1039/C7QO00817A","","","0.71073","MoKα","","0.1976","0.1187","","","0.312","0.3561","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553910","21.1618","0.0016","11.9414","0.0011","23.2097","0.0017","90","","90","","90","","5865.1","0.8","291","","291","","","","","","","","","4","P b c n","-P 2n 2ab","60","","7,16-[2,2'-(hexano-2,4-diyne-1,6-dioxy)-dibenzoylo]-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecine","","- C38 H26 N4 O4 -","- C38 H26 N4 O4 -","- C304 H208 N32 O32 -","8","1","","Zwoliński, K. M.; Sieroń, L.; Eilmes, J.","One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges","Organic Chemistry Frontiers","2018","5","2","171","","10.1039/C7QO00821J","","","0.71073","MoKα","","0.0954","0.0404","","","0.0583","0.0619","","","","","","0.954","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553911","11.2639","0.0012","15.6341","0.0017","13.7495","0.0015","90","","110.204","0.002","90","","2272.3","0.4","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","{7,16-bis[2-(prop-2-yn-1-yloxy)benzoyl]-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato(2-)k^4^N} zinc(II)","","- C46 H50 N4 O8 S4 Zn -","- C46 H50 N4 O8 S4 Zn -","- C92 H100 N8 O16 S8 Zn2 -","2","1","","Zwoliński, K. M.; Sieroń, L.; Eilmes, J.","One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges","Organic Chemistry Frontiers","2018","5","2","171","","10.1039/C7QO00821J","","","0.71073","MoKα","","0.0275","0.0269","","","0.0703","0.0708","","","","","","1.011","","","","has coordinates,has disorder","236157","2020-10-21","18:00:00",""
"1553912","17.1209","0.001","6.8257","0.0005","14.2218","0.001","90","","100.2","0.003","90","","1635.72","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N O2 -","- C19 H14 Br N O2 -","- C76 H56 Br4 N4 O8 -","4","1","","Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong","A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C–H bonds with carboxylic acids","Organic Chemistry Frontiers","2018","5","3","415","","10.1039/C7QO00844A","","","0.71073","MoKα","","0.048","0.0357","","","0.0917","0.0987","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553913","8.581","0.0017","10.888","0.002","11.352","0.002","93.19","0.03","106.92","0.03","90.49","0.03","1012.8","0.4","194","2","194","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N O2 Rh -","- C24 H28 N O2 Rh -","- C48 H56 N2 O4 Rh2 -","2","1","","Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong","A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C‒H bonds with carboxylic acids","Organic Chemistry Frontiers","2018","5","3","415","","10.1039/C7QO00844A","","","0.7201","","","0.0697","0.0601","","","0.1666","0.1888","","","","","","1.105","","","","has coordinates","236159","2020-10-21","18:00:00",""
"1553914","7.1832","0.001","10.3531","0.0016","12.7041","0.0018","99.499","0.006","102.356","0.006","98.881","0.005","892.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong","A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C–H bonds with carboxylic acids","Organic Chemistry Frontiers","2018","5","3","415","","10.1039/C7QO00844A","","","0.71073","MoKα","","0.0429","0.0369","","","0.0949","0.0987","","","","","","1.052","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1553915","30.962","0.005","10.076","0.0018","20.18","0.004","90","","121.016","0.004","90","","5395.5","1.7","205","","205","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C232 H256 O24 -","8","1","","Liu, Lina; Yuan, Zhenbo; Pan, Rui; Zeng, Yuye; Lin, Aijun; Yao, Hequan; Huang, Yue","1,6-Conjugated addition-mediated [4 + 1] annulation: an approach to 2,3-dihydrobenzofurans","Organic Chemistry Frontiers","2018","5","4","623","","10.1039/C7QO00846E","","","0.71073","MoKα","","0.11","0.0602","","","0.1559","0.1836","","","","","","0.962","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553916","10.1754","0.0007","13.7004","0.0008","13.8309","0.001","119.49","0.007","102.929","0.006","92.342","0.005","1609.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cl N2 O4 -","- C17 H13 Cl N2 O4 -","- C68 H52 Cl4 N8 O16 -","4","2","","Daggupati, Ramana V.; Malapaka, Chandrasekharam","Cu(i)-Catalyzed amidation/imidation of N-arylglycine ester derivatives via C–N coupling under mild conditions","Organic Chemistry Frontiers","2018","5","5","788","","10.1039/C7QO00851A","","x-ray","1.54184","CuKα","","0.057","0.0468","","","0.1497","0.1676","","","","","","1.1456","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553917","6.0881","0.0002","7.8709","0.0004","14.5993","0.0007","86.207","0.004","88.891","0.003","76.774","0.004","679.53","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C32 H30 N6 O4 -","2","1","","Zhu, Chuanle; Zeng, Hao; Chen, Fulin; Liu, Chi; Zhu, Rui; Wu, Wanqing; Jiang, Huanfeng","Copper-catalyzed coupling of oxime acetates and aryldiazonium salts: an azide-free strategy toward N-2-aryl-1,2,3-triazoles","Organic Chemistry Frontiers","2018","5","4","571","","10.1039/C7QO00874K","","x-ray","1.54184","CuKα","","0.0414","0.0396","","","0.1061","0.1077","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553918","6.4301","0.0002","13.8923","0.0003","12.2241","0.0003","90","","103.031","0.002","90","","1063.85","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C56 H52 N4 -","2","0.5","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N → B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","1.54184","CuKα","","0.0444","0.0391","","","0.0983","0.1024","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553919","9.0141","0.0007","12.9277","0.001","15.5179","0.0009","111.75","0.006","98.849","0.006","99.031","0.007","1613.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H54 B2 N2 -","- C40 H54 B2 N2 -","- C80 H108 B4 N4 -","2","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N → B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","0.71073","MoKα","","0.0891","0.0665","","","0.1693","0.1931","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553920","17.2519","0.0002","10.4002","0.0001","18.7527","0.0002","90","","94.829","0.001","90","","3352.73","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B2 N2 -","- C40 H54 B2 N2 -","- C160 H216 B8 N8 -","4","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N → B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","1.54184","CuKα","","0.0727","0.0611","","","0.1623","0.17","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553921","10.7137","0.0003","14.9388","0.0004","11.2075","0.0004","90","","101.824","0.003","90","","1755.7","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 B2 N2 -","- C44 H56 B2 N2 -","- C88 H112 B4 N4 -","2","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N → B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","0.71073","MoKα","","0.0572","0.0464","","","0.096","0.1036","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553922","13.3636","0.0003","12.765","0.0002","15.0491","0.0003","90","","111.844","0.002","90","","2382.85","0.09","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H29 B2 F20 N3 -","- C50 H29 B2 F20 N3 -","- C100 H58 B4 F40 N6 -","2","0.5","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","1.54184","CuKα","","0.0579","0.051","","","0.1688","0.1791","","","","","","1.094","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553923","11.196","0.005","13.488","0.007","19.102","0.011","102.11","0.02","104.06","0.02","108.18","0.02","2528","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H38 B2 F20 N2 -","- C60 H38 B2 F20 N2 -","- C120 H76 B4 F40 N4 -","2","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N → B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","0.71073","MoKα","","0.0487","0.041","","","0.0998","0.1044","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553924","8.616","0.004","21.777","0.009","18.552","0.008","90","","100.259","0.009","90","","3425","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Cl2 N3 O4 S2 -","- C35 H37 Cl2 N3 O4 S2 -","- C140 H148 Cl8 N12 O16 S8 -","4","1","","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","","0.1275","0.054","","","0.1211","0.1549","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:31",""
"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","301780","2025-08-18","21:43:31",""
"1553926","33.342","0.003","14.1163","0.0013","13.8882","0.0014","90","","113.533","0.002","90","","5993","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 N3 O4 S2 -","- C33 H33 N3 O4 S2 -","- C264 H264 N24 O32 S16 -","8","1","","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","","0.0784","0.0524","","","0.1319","0.1466","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553927","20.618","0.002","12.7286","0.0014","11.5829","0.0013","90","","96.577","0.002","90","","3019.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O4 S2 -","- C33 H33 N3 O4 S2 -","- C132 H132 N12 O16 S8 -","4","1","","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","","0.0574","0.0436","","","0.1133","0.1233","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553928","16.4746","0.0007","9.1306","0.0003","19.2167","0.0008","90","","113.764","0.005","90","","2645.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N3 -","- C36 H29 N3 -","- C144 H116 N12 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0512","0.0406","","","0.0952","0.1024","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553929","9.0006","0.0003","13.4106","0.0007","13.9272","0.0004","73.859","0.004","78.251","0.003","71.617","0.004","1519.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.35 H35.05 N3 O1.67 -","- C40.3506 H35.053 N3 O1.675 -","- C80.7012 H70.106 N6 O3.35 -","2","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","x-ray","1.54184","CuKα","","0.06","0.0478","","","0.1249","0.1337","","","","","","1.04","","","","has coordinates,has disorder","236172","2020-10-21","18:00:00",""
"1553930","9.8591","0.0003","17.6789","0.0006","16.9614","0.0006","90","","96.753","0.003","90","","2935.83","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 N3 O2 -","- C39 H29 N3 O2 -","- C156 H116 N12 O8 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0712","0.052","","","0.1152","0.1249","","","","","","1.021","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1553931","9.7752","0.0005","18.4617","0.0008","18.0848","0.0009","90","","102.389","0.005","90","","3187.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 N3 -","- C43 H29 N3 -","- C172 H116 N12 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0534","0.0427","","","0.0926","0.0987","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553932","9.9057","0.0003","18.2185","0.0005","17.9256","0.0005","90","","94.694","0.003","90","","3224.13","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 N3 O -","- C44 H31 N3 O -","- C176 H124 N12 O4 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0596","0.0442","","","0.0951","0.1036","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553933","9.9528","0.001","5.6608","0.0006","10.1737","0.0008","90","","119.444","0.007","90","","499.16","0.09","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C20 H30 N2 O6 -","2","1","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Highly diastereoselective access to polyfunctionalized 1,3-oxazines promoted by Brønsted/Lewis acids","Organic Chemistry Frontiers","2018","5","4","566","","10.1039/C7QO00891K","","","0.71073","MoKα","","0.0356","0.0326","","","0.0793","0.0816","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553934","6.934","0.0005","9.4461","0.0008","12.5549","0.0011","77.759","0.001","76.1","0.001","88.981","0.002","779.63","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C32 H28 O14 -","2","1","","Xu, Li-Chen; Zhou, Peng; Li, Jia-Zhuo; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Thiazolium salt-catalyzed [3 + 2 + 1] cyclization for the synthesis of trisubstituted 2-pyrones using arylglyoxals as a carbonyl source","Organic Chemistry Frontiers","2018","5","5","753","","10.1039/C7QO00899F","","","0.71073","MoKα","","0.1689","0.1071","","","0.2366","0.2612","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553935","14.18","0.002","16.43","0.003","16.973","0.002","65.7","0.012","71.841","0.016","79.491","0.018","3417.8","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H63 F6 N8 O12 P S6 -","- C65 H63 F6 N8 O12 P S6 -","- C130 H126 F12 N16 O24 P2 S12 -","2","1","","Zhao, Meng-Yao; Guo, Qing-Hui; Wang, Mei-Xiang","Understanding the driving force for the molecular recognition of S6-corona[3]arene[3]pyridazine toward organic ammonium cations","Organic Chemistry Frontiers","2018","5","5","760","","10.1039/C7QO00900C","","","0.71073","MoKα","","0.1783","0.1451","","","0.32","0.3417","","","","","","1.207","","","","has coordinates,has disorder","236178","2020-10-21","18:00:00",""
"1553936","8.4287","0.0001","10.7538","0.0001","30.9419","0.0004","90","","90","","90","","2804.59","0.06","293","2","293","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 N3 O5 P Ru -","- C26 H28 Cl2 N3 O5 P Ru -","- C104 H112 Cl8 N12 O20 P4 Ru4 -","4","1","","de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A.","Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst","Organic Chemistry Frontiers","2018","5","5","841","","10.1039/C7QO00908A","","","1.5418","CuKα","","0.053","0.0512","","","0.1296","0.1311","","","","","","1.069","","","","has coordinates","236180","2020-10-21","18:00:00",""
"1553937","28.3195","0.0004","28.3195","0.0004","8.539","0.0002","90","","90","","90","","6848.2","0.2","150","2","150","2","","","","","","","","7","P 4","P 4","75","","","","- C33 H30 Cl2 N3 O4 P Ru -","- C33 H30 Cl2 N3 O4 P Ru -","- C264 H240 Cl16 N24 O32 P8 Ru8 -","8","2","","de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A.","Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst","Organic Chemistry Frontiers","2018","5","5","841","","10.1039/C7QO00908A","","x-ray","1.5418","CuKα","","0.0515","0.0432","","","0.1131","0.1184","","","","","","1.062","","","","has coordinates","236180","2020-10-21","18:00:00",""
"1553938","31.825","0.009","31.825","0.009","8.303","0.002","90","","90","","90","","8410","4","296","2","296.15","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C432 H368 N48 O16 -","16","1","","Zhang, Chen; Pi, Junxia; Chen, Shu; Liu, Ping; Sun, Peipei","Construction of a 4H-pyrido[4,3,2-gh]phenanthridin-5(6H)-one skeleton via a catalyst-free radical cascade addition/cyclization using azo compounds as radical sources","Organic Chemistry Frontiers","2018","5","5","793","","10.1039/C7QO00926G","","","0.71073","MoKα","","0.0381","0.0329","","","0.0924","0.0969","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553939","8.8464","0.0004","13.6195","0.0006","30.1026","0.0012","90","","90","","90","","3626.9","0.3","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Si -","- C22 H22 Si -","- C176 H176 Si8 -","8","1","","Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng","Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)–Si bond cleavage","Organic Chemistry Frontiers","2018","5","5","860","","10.1039/C7QO00927E","","x-ray","0.71073","MoKα","","0.04","0.0365","","","0.0977","0.1005","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553940","12.2864","0.0007","9.5206","0.0006","14.4288","0.0008","90","","96.731","0.006","90","","1676.16","0.17","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Si -","- C21 H20 Si -","- C84 H80 Si4 -","4","1","","Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng","Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)–Si bond cleavage","Organic Chemistry Frontiers","2018","5","5","860","","10.1039/C7QO00927E","","","0.71073","MoKα","","0.0575","0.0407","","","0.0958","0.1069","","","","","","1.074","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553941","9.297","0.007","11.515","0.009","11.957","0.009","61.974","0.007","80.333","0.011","67.602","0.01","1044.6","1.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C46 H44 N4 O14 -","2","2","","Han, Jianxin; Niu, Sheng-Tong; Liu, Yushuang; Gan, Lishe; Wang, Tianfu; Lu, Chong-Dao; Yuan, Tao","Robustanoids A and B, two novel pyrrolo[2,3-b]indole alkaloids from Coffea canephora: isolation and total synthesis","Organic Chemistry Frontiers","2018","5","4","586","","10.1039/C7QO00931C","","","0.71073","MoKα","","0.0863","0.0699","","","0.1773","0.2","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553942","7.483","0.002","12.28","0.004","13.156","0.004","73.055","0.004","75.131","0.005","76.779","0.005","1102.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N5 O -","- C28 H21 N5 O -","- C56 H42 N10 O2 -","2","1","","Gao, Qinghe; He, Shuang; Wu, Xia; Zhang, Jingjing; Bai, Suping; Wu, Yandong; Wu, Anxin","Selective access to dipyrazolo-fused pyridines via formal [3 + 2 + 1] heteroannulation of methyl ketones with pyrazol-5-amines","Organic Chemistry Frontiers","2018","5","5","765","","10.1039/C7QO00941K","","","0.71073","MoKα","","0.1131","0.0584","","","0.1352","0.1763","","","","","","0.885","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553943","9.6948","0.0002","10.6078","0.0003","14.8224","0.0004","105.266","0.001","103.77","0.002","93.623","0.002","1415.35","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H54 Cl2 N2 O2 -","- C83 H54 Cl2 N2 O2 -","- C83 H54 Cl2 N2 O2 -","1","0.5","","Marin, L.; Guillot, R.; Gandon, V.; Schulz, E.; Lebœuf, D.","A diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(ii)/copper(ii) catalytic sequence","Organic Chemistry Frontiers","2018","5","4","640","","10.1039/C7QO00948H","","","0.71073","MoKα","","0.0984","0.085","","","0.2379","0.2508","","","","","","1.043","","","","has coordinates","236189","2020-10-21","18:00:00",""
"1553944","14.1223","0.0005","10.4359","0.0003","19.4476","0.0006","90","","97.282","0.002","90","","2843.05","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl2 N O3 -","- C34 H29 Cl2 N O3 -","- C136 H116 Cl8 N4 O12 -","4","1","","Marin, L.; Guillot, R.; Gandon, V.; Schulz, E.; Lebœuf, D.","A diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(ii)/copper(ii) catalytic sequence","Organic Chemistry Frontiers","2018","5","4","640","","10.1039/C7QO00948H","","","0.71073","MoKα","","0.1094","0.0556","","","0.1196","0.1434","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1553945","6.18585","0.00012","19.014","0.0005","13.0299","0.0003","90","","104.086","0.0007","90","","1486.46","0.06","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl F4 N S -","- C13 H9 Br Cl F4 N S -","- C52 H36 Br4 Cl4 F16 N4 S4 -","4","1","","Das, Prajwalita; Takada, Masahiro; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","Synthesis of pyridine trans-tetrafluoro-λ6-sulfane derivatives via radical addition","Organic Chemistry Frontiers","2018","5","5","719","","10.1039/C7QO00994A","","","0.71075","MoKα","","","0.0243","","","","0.0607","","","","","","1.095","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553946","24.908","0.003","13.4385","0.0017","8.7528","0.0013","90","","93.042","0.006","90","","2925.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C128 H96 Cl8 N8 O16 S8 -","8","1","","Zhao, Lang; Liao, Wei-Wei","Pd-Catalyzed intramolecular C–H addition to the cyano-group: construction of functionalized 2,3-fused thiophene scaffolds","Organic Chemistry Frontiers","2018","5","5","801","","10.1039/C7QO01000A","","","0.71073","MoKα","","0.0507","0.0406","","","0.0937","0.1023","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553947","9.5527","0.0003","12.362","0.0005","12.0679","0.0005","90","","92.577","0.003","90","","1423.66","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(8-quinolyl)-N-(2-tetrahydrofuranyl)propionamide","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Yue, Qiang; Xiao, Zhen; Ran, Ziyao; Yuan, Songdong; Zhang, Qian; Li, Dong","Copper-catalyzed α-C–H amidation of simple ethers through C(sp3)–H/N–H cross dehydrogenative coupling","Organic Chemistry Frontiers","2018","5","6","967","","10.1039/C7QO01003F","","x-ray","1.54184","CuKα","","0.0642","0.048","","","0.1289","0.1442","","","","","","1.04","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1553948","13.1217","0.0007","8.2301","0.0004","15.9865","0.0009","90","","109.525","0.006","90","","1627.15","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 N2 O3.5 S -","- C17 H15.5 N2 O3.5 S -","- C68 H62 N8 O14 S4 -","4","2","","Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia","Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2018","5","6","929","","10.1039/C7QO01014A","","","0.71073","MoKα","","0.0764","0.0593","","","0.1473","0.1627","","","","","","1.015","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1553949","8.0275","0.0005","13.876","0.0008","31.686","0.003","90","","90","","90","","3529.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 N O3.5 -","- C19 H17 F3 N O3.5 -","- C152 H136 F24 N8 O28 -","8","2","","Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia","Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2018","5","6","929","","10.1039/C7QO01014A","","","0.71073","MoKα","","0.0494","0.0384","","","0.1104","0.1192","","","","","","0.853","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553950","10.4482","0.0002","7.41078","0.00018","13.6312","0.0004","90","","105.538","0.003","90","","1016.88","0.05","172.95","0.1","172.95","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","0.5","","Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin","Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes","Organic Chemistry Frontiers","2018","5","7","1096","","10.1039/C7QO01041A","","","1.54184","CuKα","","0.0309","0.03","","","0.0768","0.0778","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553951","8.5997","0.0003","11.3141","0.0005","23.5957","0.0009","89.88","0.003","86.923","0.003","89.086","0.003","2292.21","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O3.5 Rh -","- C25 H30 N2 O3.5 Rh -","- C100 H120 N8 O14 Rh4 -","4","2","","Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin","Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes","Organic Chemistry Frontiers","2018","5","7","1096","","10.1039/C7QO01041A","","","1.54184","CuKα","","0.0587","0.056","","","0.1369","0.1411","","","","","","1.052","","","","has coordinates","236199","2020-10-21","18:00:00",""
"1553952","31.277","0.009","16.691","0.005","10.668","0.003","90","","93.503","0.006","90","","5559","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C192 H176 S48 Si16 -","8","1","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.1099","0.0642","","","0.1494","0.1644","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553953","19.71","0.004","13.215","0.003","10.489","0.002","90","","103.753","0.003","90","","2653.7","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 S7 Si2 -","- C22 H20 S7 Si2 -","- C88 H80 S28 Si8 -","4","1","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.0446","0.0356","","","0.0985","0.1037","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553954","12.594","0.005","7.353","0.003","15.175","0.006","90","","90","","90","","1405.3","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","0.5","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.0414","0.0314","","","0.0795","0.0832","","","","","","1.018","","","","has coordinates","236200","2020-10-21","18:00:00",""
"1553955","11.5286","0.001","15.8164","0.0013","8.4588","0.0007","90","","110.19","0.001","90","","1447.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","1","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.0442","0.0296","","","0.0691","0.0751","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553956","11.566","0.001","31.513","0.003","12.0437","0.001","90","","92.279","0.002","90","","4386.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl2 N3 O3 -","- C53 H49 Cl2 N3 O3 -","- C212 H196 Cl8 N12 O12 -","4","1","","Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay","An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones","Organic Chemistry Frontiers","2018","5","7","1202","","10.1039/C7QO01051F","","","0.71073","MoKα","","0.1575","0.1192","","","0.199","0.2111","","","","","","1.286","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553957","29.069","0.003","16.647","0.0018","23.834","0.003","90","","124.203","0.002","90","","9538.8","1.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H49 Cl I N3 O5 -","- C50.5 H49 Cl I N3 O5 -","- C404 H392 Cl8 I8 N24 O40 -","8","1","","Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay","An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones","Organic Chemistry Frontiers","2018","5","7","1202","","10.1039/C7QO01051F","","","0.71073","MoKα","","0.0456","0.0367","","","0.0878","0.0913","","","","","","1.016","","","","has coordinates","236202","2020-10-21","18:00:00",""
"1553958","13.605","0.003","13.333","0.003","23.507","0.006","90","","101.393","0.006","90","","4180","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 N3 O3 -","- C52 H47 N3 O3 -","- C208 H188 N12 O12 -","4","1","","Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay","An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones","Organic Chemistry Frontiers","2018","5","7","1202","","10.1039/C7QO01051F","","","0.71073","MoKα","","0.165","0.0784","","","0.1391","0.1724","","","","","","0.999","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553959","7.6879","0.0003","13.3936","0.0005","15.696","0.0006","90","","103.359","0.001","90","","1572.46","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Chen, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","tert-Butyl peroxybenzoate mediated formation of 3-alkylated quinolines from N-propargylamines via a cascade radical addition/cyclization reaction","Organic Chemistry Frontiers","2018","5","5","855","","10.1039/C7QO01052D","","","0.71073","MoKα","","0.0535","0.0399","","","0.0985","0.1099","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553960","12.074","0.003","22.964","0.006","17.711","0.005","90","","93.931","0.005","90","","4899","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H51 Cl5 N4 O2 P2 Ru -","- C51 H51 Cl5 N4 O2 P2 Ru -","- C204 H204 Cl20 N16 O8 P8 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","","0.1545","0.0865","","","0.1957","0.2339","","","","","","1.137","","","","has coordinates","236206","2020-10-21","18:00:00",""
"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",""
"1553962","9.679","0.003","19.168","0.006","21.719","0.007","90","","91.489","0.006","90","","4028","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cl2 N4 P2 Ru -","- C48 H44 Cl2 N4 P2 Ru -","- C192 H176 Cl8 N16 P8 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","","0.1188","0.0606","","","0.1423","0.1855","","","","","","0.952","","","","has coordinates","236206","2020-10-21","18:00:00",""
"1553963","8.0484","0.0007","10.6055","0.0009","21.9053","0.0018","90","","90","","90","","1869.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Li, Yun; Chen, Jingchao; He, Zhenxiu; Qin, Hongyu; Zhou, Yongyun; Khan, Ruhima; Fan, Baomin","Cobalt-catalyzed asymmetric reactions of heterobicyclic alkenes with in situ generated organozinc halides","Organic Chemistry Frontiers","2018","5","7","1108","","10.1039/C7QO01064H","","","0.71073","MoKα","","0.0286","0.0274","","","0.0727","0.0736","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553964","14.839","0.004","17.596","0.004","8.652","0.002","90","","90","","90","","2259.1","1","173","2","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H27 Br O3 -","- C26 H27 Br O3 -","- C104 H108 Br4 O12 -","4","1","","Li, Shoulei; Liu, Bin; Chen, Li; Li, Xin; Cheng, Jin-Pei","N-Heterocyclic carbene promoted enantioselective desymmetrization reaction of diarylalkane-bisphenols","Organic Chemistry Frontiers","2018","5","7","1101","","10.1039/C7QO01083D","","","0.71073","MoKα","","0.055","0.048","","","0.0846","0.0877","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553965","4.3504","0.0004","24.437","0.002","8.5476","0.0007","90","","102.442","0.002","90","","887.36","0.13","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Qiao, Kai; Zhang, Dong; Zhang, Kai; Yuan, Xin; Zheng, Ming-Wei; Guo, Tian-Fo; Fang, Zheng; Wan, Li; Guo, Kai","Iron(ii)-catalyzed C-2 cyanomethylation of indoles and pyrroles via direct oxidative cross-dehydrogenative coupling with acetonitrile derivatives","Organic Chemistry Frontiers","2018","5","7","1129","","10.1039/C7QO01086A","","","0.71073","MoKα","","0.0481","0.0449","","","0.1151","0.1186","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553966","9.4077","0.0015","9.9254","0.0016","17.562","0.003","90","","90","","90","","1639.9","0.5","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-n-Butyl-4-phenyl-3,4-dihydro-2H-benzo[e][1,2]thiazine 1,1-dioxide","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Song, Bo; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams with two adjacent stereocenters via palladium-catalyzed dynamic kinetic resolution","Organic Chemistry Frontiers","2018","5","7","1113","","10.1039/C7QO01098B","","","0.71073","MoKα","","0.0932","0.0553","","","0.12","0.1375","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553967","8.9388","0.0002","9.7832","0.0002","13.5584","0.0003","90","","107.86","0.003","90","","1128.54","0.05","294.5","0.7","294.5","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl F N O -","- C15 H7 Cl F N O -","- C60 H28 Cl4 F4 N4 O4 -","4","1","","Liu, Jianming; Yan, Xuyang; Liu, Na; Zhang, Yanyan; Zhao, Shufang; Wang, Xiaopei; Zhuo, Kelei; Yue, Yuanyuan","Elemental sulfur accelerated the reactivity of the 3-position of indole for the construction of chromeno[2,3-b]indoles","Organic Chemistry Frontiers","2018","5","6","1034","","10.1039/C7QO01114H","","x-ray","1.54184","CuKα","","0.0585","0.0567","","","0.141","0.1433","","","","","","1.047","","","","has coordinates","236215","2020-10-21","18:00:00",""
"1553968","9.2089","0.0003","10.5763","0.0004","10.9769","0.0004","100.503","0.003","95.221","0.003","91.16","0.003","1046.09","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines","Organic Chemistry Frontiers","2018","5","7","1160","","10.1039/C7QO01122A","","x-ray","1.54184","CuKα","","0.0418","0.0398","","","0.102","0.1039","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553969","8.9683","0.0005","9.8217","0.0005","11.353","0.0007","75.074","0.005","77.458","0.005","63.345","0.005","857.59","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 F O2 -","- C23 H19 F O2 -","- C46 H38 F2 O4 -","2","1","","Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines","Organic Chemistry Frontiers","2018","5","7","1160","","10.1039/C7QO01122A","","x-ray","0.71073","MoKα","","0.0681","0.0489","","","0.1073","0.1198","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553970","29.1539","0.0005","14.0671","0.0003","24.2333","0.0007","90","","126.156","0.001","90","","8024.4","0.3","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H100 N4 Na4 O46 -","- C64 H84 N4 Na4 O46 -","- C256 H336 N16 Na16 O184 -","4","0.5","","Zhang, Yao; Yu, Shang-Bo; Yang, Bo; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Ion-pair electrostatic attraction-enhanced donor‒acceptor interactions between the prototypic 1,4-dialkoxybenzene-viologen binding mode in water","Organic Chemistry Frontiers","2018","5","6","1039","","10.1039/C7QO01126A","","","1.54178","CuKα","","0.1207","0.1053","","","0.2954","0.3094","","","","","","1.041","","","","has coordinates","236220","2020-10-21","18:00:00",""
"1553971","8.7382","0.0006","5.8569","0.0004","23.8346","0.0018","90","","91.141","0.001","90","","1219.58","0.15","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br F N O4 S -","- C10 H9 Br F N O4 S -","- C40 H36 Br4 F4 N4 O16 S4 -","4","1","","Wang, Shi-Meng; Li, Chen; Leng, Jing; Bukhari, Syed Nasir Abbas; Qin, Hua-Li","Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and Ethenesulfonyl fluoride: a C–H Bond Activation Strategy for the Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride Substituted γ-Lactams","Organic Chemistry Frontiers","2018","5","9","1411","","10.1039/C7QO01128H","","","0.71073","MoKα","","0.0627","0.0397","","","0.0926","0.0996","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553972","8.6492","0.0009","6.7929","0.0008","25.645","0.003","90","","98.112","0.002","90","","1491.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F O5 S -","- C15 H11 F O5 S -","- C60 H44 F4 O20 S4 -","4","1","","Wang, Shi-Meng; Li, Chen; Leng, Jing; Bukhari, Syed Nasir Abbas; Qin, Hua-Li","Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and Ethenesulfonyl fluoride: a C–H Bond Activation Strategy for the Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride Substituted γ-Lactams","Organic Chemistry Frontiers","2018","5","9","1411","","10.1039/C7QO01128H","","","0.71073","MoKα","","0.1039","0.0813","","","0.216","0.2291","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553973","12.062","0.003","4.0452","0.0009","21.707","0.005","90","","90.12","0.02","90","","1059.2","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Reddy, Ganapam Manohar; Rao, Naidu Sambasiva; Maheswaran, H.","Highly meta-selective halogenation of 2-phenylpyridine with a ruthenium(i) catalyst","Organic Chemistry Frontiers","2018","5","7","1118","","10.1039/C7QO01133D","","","0.71073","MoKα","","0.1009","0.0419","","","0.076","0.0864","","","","","","0.776","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553974","8.799","0.0004","14.7395","0.0006","16.0279","0.0006","90","","90","","90","","2078.7","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 N O -","- C24 H25 Cl2 N O -","- C96 H100 Cl8 N4 O4 -","4","1","","Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives","Organic Chemistry Frontiers","2018","5","8","1366","","10.1039/C7QO01142C","","","1.54178","CuKα","","0.0259","0.0253","","","0.0677","0.0683","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553975","5.6782","0.0002","8.5568","0.0003","38.5091","0.001","90","","90","","90","","1871.05","0.1","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C88 H92 N4 O4 S4 -","4","1","","Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives","Organic Chemistry Frontiers","2018","5","8","1366","","10.1039/C7QO01142C","","","1.54178","CuKα","","0.042","0.0371","","","0.0905","0.0934","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553976","10.5329","0.0009","10.3187","0.0008","18.4305","0.0016","90","","97.847","0.002","90","","1984.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O4 -","- C21 H20 N4 O4 -","- C84 H80 N16 O16 -","4","1","","Cao, Wen-Bin; Liu, Bei-Bei; Xu, Xiao-Ping; Ji, Shun-Jun","Cooperation of copper and dioxygen for the site-selective construction of benzo[1,5]diazocin-6(5H)-ones from indoles and enaminone analogues","Organic Chemistry Frontiers","2018","5","7","1194","","10.1039/C7QO01154G","","","0.71073","MoKα","","0.126","0.065","","","0.1819","0.2811","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553977","11.9446","0.0012","13.7058","0.0014","19.238","0.002","90","","90","","90","","3149.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N O6 P S -","- C34 H28 N O6 P S -","- C136 H112 N4 O24 P4 S4 -","4","1","","Gu, Zheng; Zhou, Ji; Jiang, Guo-Fang; Zhou, Yong-Gui","Synthesis of chiral γ-aminophosphonates through the organocatalytic hydrophosphonylation of azadienes with phosphites","Organic Chemistry Frontiers","2018","5","7","1148","","10.1039/C7QO01158J","","","0.71073","MoKα","","0.0462","0.0322","","","0.0789","0.0874","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553978","7.9384","0.0009","9.9744","0.0012","17.126","0.002","90","","90","","90","","1356","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy","Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems","Organic Chemistry Frontiers","2018","5","8","1320","","10.1039/C7QO01164D","","","0.71073","MoKα","","0.0732","0.0717","","","0.1684","0.1693","","","","","","1.246","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553979","12.6396","0.001","9.6186","0.0008","11.8318","0.0009","90","","103.394","0.001","90","","1399.33","0.19","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy","Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems","Organic Chemistry Frontiers","2018","5","8","1320","","10.1039/C7QO01164D","","","0.71073","MoKα","","0.0521","0.0445","","","0.1237","0.1298","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553980","13.13","0.04","12.87","0.04","7.8","0.02","90","","105.51","0.02","90","","1270","6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy","Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems","Organic Chemistry Frontiers","2018","5","8","1320","","10.1039/C7QO01164D","","","0.71073","MoKα","","0.1204","0.067","","","0.1725","0.2015","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554253","8.8119","0.0001","10.4134","0.0001","27.1396","0.0003","90","","90","","90","","2490.38","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br F3 N3 O4 S -","- C25 H21 Br F3 N3 O4 S -","- C100 H84 Br4 F12 N12 O16 S4 -","4","1","","Zhu, Wen-Run; Chen, Qing; Lin, Ning; Chen, Kai-Bin; Zhang, Zhen-Wei; Fang, Gang; Weng, Jiang; Lu, Gui","Organocatalytic Michael/cyclization cascade reactions of 3-isothiocyanato oxindoles with 3-trifluoroethylidene oxindoles: an approach for the synthesis of 3′-trifluoromethyl substituted 3,2′-pyrrolidinyl-bispirooxindoles","Organic Chemistry Frontiers","2018","5","8","1375","","10.1039/C8QO00044A","","","1.54178","CuKα","","0.0329","0.0312","","","0.0763","0.0774","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554254","13.986","0.0008","14.019","0.0008","28.0285","0.0013","98.119","0.003","91.053","0.003","90.157","0.003","5439.5","0.5","273","2","273","2","","","","","","","","3","P 1","P 1","1","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C224 H288 O64 -","8","8","","Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua","Asperones A‒E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1‒15","Organic Chemistry Frontiers","2018","5","16","2432","","10.1039/C8QO00070K","","","1.54178","CuKα","","0.1592","0.1102","","","0.2928","0.3537","","","","","","1.147","","","","has coordinates","237068","2020-10-21","18:00:00",""
"1554255","8.3949","0.0009","15.0525","0.0016","22.267","0.002","90","","90","","90","","2813.8","0.5","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","15-13","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua","Asperones A–E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1–15","Organic Chemistry Frontiers","2018","5","16","2432","","10.1039/C8QO00070K","","","1.54178","CuKα","","0.0338","0.0326","","","0.0864","0.0873","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554256","9.34542","0.00007","14.58845","0.00013","24.65138","0.00016","90","","90","","90","","3360.85","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Lithocarpin C","W-55","","- C37 H42 O11 -","- C37 H42 O11 -","- C148 H168 O44 -","4","1","","Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin","Lithocarpins A–D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508","Organic Chemistry Frontiers","2018","5","11","1792","","10.1039/C8QO00095F","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0889","0.0897","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554257","12.0999","0.0003","8.9388","0.0002","17.0397","0.0004","90","","90.378","0.002","90","","1842.95","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Lithocarpin A","w-36","","- C38 H43 Cl3 O11 -","- C38 H43 Cl3 O11 -","- C76 H86 Cl6 O22 -","2","1","","Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin","Lithocarpins A–D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508","Organic Chemistry Frontiers","2018","5","11","1792","","10.1039/C8QO00095F","","x-ray","1.54184","CuKα","","0.094","0.0906","","","0.2611","0.265","","","","","","1.036","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554258","8.8203","0.0001","9.95","0.0002","11.3663","0.0002","90","","104.882","0.002","90","","964.07","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","","Hu, Li-Jun; Cheng, Min-Jing; Cao, Jia-Qing; Zhong, Li-Ping; Hu, Ya-Jian; Wang, Ying; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Asymmetric total syntheses of callistrilones B, G and J","Organic Chemistry Frontiers","2018","5","9","1506","","10.1039/C8QO00130H","","x-ray","1.54178","CuKα","","0.03","0.0298","","","0.0801","0.0804","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554259","9.56","0.001","10.76","0.003","11.542","0.003","89.84","0.03","78.84","0.02","80.4","0.02","1148","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","{2-[3-Ethoxy-2-(methoxymethoxy)phenyl]cyclopropane-1,1-diyl}bis(phenylmethanone)","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.0904","0.0459","","","0.1151","0.1363","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554260","5.565","0.001","17.417","0.006","19.97","0.005","90","","90","","90","","1935.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-amine","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.0728","0.0429","","","0.102","0.1167","","","","","","1.1","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554261","10.139","0.003","10.399","0.006","14.357","0.005","80.36","0.04","69.86","0.03","89.98","0.04","1398.4","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.141","0.056","","","0.1299","0.1632","","","","","","1.01","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554262","9.9233","0.0007","15.1382","0.001","8.9089","0.0006","90","","105.815","0.001","90","","1287.64","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Bromo-6-ethoxy-9-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene","","- C13 H15 Br O3 -","- C13 H15 Br O3 -","- C52 H60 Br4 O12 -","4","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.0323","0.0251","","","0.0596","0.0618","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554263","8.638","0.003","15.409","0.007","8.594","0.002","90","","111.43","0.02","90","","1064.8","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-9-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.072","0.0393","","","0.0928","0.1071","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554264","9.944","0.005","16.675","0.008","15.179","0.007","90","","108.38","0.04","90","","2389","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[4-(2-Hydroxyphenyl)-2-methyl-4,5-dihydrofuran-3-yl]ethanone","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","2","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.1516","0.0589","","","0.1474","0.1892","","","","","","0.995","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554265","7.1922","0.0006","9.9323","0.0008","16.0391","0.0013","78.066","0.001","84.732","0.001","86.302","0.001","1115.04","0.16","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","{4-[3-Ethoxy-2-(methoxymethoxy)phenyl]-2-phenyl-4,5-dihydrofuran-3-yl}(phenyl)methanone","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.0562","0.0423","","","0.1006","0.109","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554266","9.9599","0.0006","6.7335","0.0004","20.4059","0.0012","90","","93.522","0.001","90","","1365.94","0.14","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[2-(methoxymethoxy)phenyl]-2-methyl-4,5-dihydrofuran-3-carboxylate","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.0419","0.0365","","","0.0952","0.0994","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554267","8.2403","0.0004","11.2635","0.0005","11.6154","0.0007","80.692","0.004","75.701","0.005","83.849","0.004","1028.38","0.1","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Liu, Mengchen; Cheng, Chuanxu; Xiong, Weiyan; Cheng, Hang; Wang, Jian-Li; Xu, Liang","Total synthesis of C19-diterpenoid alkaloid: construction of a functionalized ABCDE-ring system","Organic Chemistry Frontiers","2018","5","9","1502","","10.1039/C8QO00143J","","x-ray","0.71073","MoKα","","0.0702","0.0474","","","0.1041","0.1173","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554268","10.8545","0.0006","11.1988","0.0004","10.9655","0.0006","90","","117.846","0.007","90","","1178.59","0.13","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Liu, Mengchen; Cheng, Chuanxu; Xiong, Weiyan; Cheng, Hang; Wang, Jian-Li; Xu, Liang","Total synthesis of C19-diterpenoid alkaloid: construction of a functionalized ABCDE-ring system","Organic Chemistry Frontiers","2018","5","9","1502","","10.1039/C8QO00143J","","","0.7107","MoKα","","0.0516","0.0402","","","0.0916","0.1002","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554269","13.7347","0.0009","21.989","0.0014","13.7372","0.0011","90","","110.63","0.007","90","","3882.8","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H104 O26 S3 -","- C76 H84 O26 S3 -","- C152 H168 O52 S6 -","2","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.1566","0.1161","","","0.2152","0.2368","","","","","","1.02","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554270","10.70154","0.00011","27.4281","0.0003","26.4591","0.0003","90","","90","","90","","7766.35","0.15","150","2","150.15","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C78 H96 N4 O22 -","- C78 H96 N4 O22 -","- C312 H384 N16 O88 -","4","0.5","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","x-ray","1.54178","CuKα","","0.0776","0.0757","","","0.2014","0.204","","","","","","1.05","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554271","9.18292","0.00014","12.4621","0.0002","28.4369","0.0005","90","","90","","90","","3254.28","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O12 -","- C35 H44 O12 -","- C140 H176 O48 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","x-ray","1.54184","CuKα","","0.0272","0.0268","","","0.0674","0.0677","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554272","15.8696","0.0006","16.1185","0.0005","32.0556","0.0007","90","","90","","90","","8199.6","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H90 Cl12 O24 -","- C74 H90 Cl12 O24 -","- C296 H360 Cl48 O96 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.0957","0.0812","","","0.1738","0.1837","","","","","","1.003","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554273","10.54064","0.00016","14.6009","0.0003","14.9312","0.0002","62.0192","0.0018","84.9082","0.0013","68.8864","0.0016","1884.1","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C77.37 H93.1 N4 O24 -","- C77.364 H93.132 N4 O24 -","- C77.364 H93.132 N4 O24 -","1","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54184","CuKα","","0.051","0.0506","","","0.1346","0.135","","","","","","1.02","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554274","15.2487","0.0011","16.1229","0.0011","29.1352","0.0019","90","","90","","90","","7163","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H91 N2 O24 -","- C74 H91 N2 O24 -","- C296 H364 N8 O96 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","0.71073","MoKα","","0.0842","0.0548","","","0.1445","0.1638","","","","","","1.026","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554275","14.7018","0.0001","14.7018","0.0001","53.2893","0.0002","90","","90","","120","","9974.97","0.1","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C70 H84 O24 -","- C70 H84 O24 -","- C420 H504 O144 -","6","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.0736","0.0724","","","0.2119","0.2145","","","","","","1.026","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554276","13.3662","0.0008","19.3514","0.0012","18.2778","0.0011","90","","107.451","0.002","90","","4510","0.5","300","2","300.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cl2 N3 O3 Ru S -","- C42 H49 Cl2 N3 O3 Ru S -","- C168 H196 Cl8 N12 O12 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Gupta, Saswata; Young Yun, Sang; Lee, Daesung","A general approach for the formation of oxygen-chelated ruthenium alkylidene complexes relying on the Thorpe‒Ingold effect","Organic Chemistry Frontiers","2018","5","9","1532","","10.1039/C8QO00160J","","","0.71073","MoKα","","0.0556","0.0425","","","0.1139","0.1226","","","","","","1.0356","","","","has coordinates","237085","2020-10-21","18:00:00",""
"1554277","14.573","0.01","14.783","0.01","16.116","0.01","90","","104.49","0.02","90","","3361","4","300","2","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Cl2 N2 O Ru -","- C33 H46 Cl2 N2 O Ru -","- C132 H184 Cl8 N8 O4 Ru4 -","4","1","","Sabbasani, Venkata R.; Gupta, Saswata; Young Yun, Sang; Lee, Daesung","A general approach for the formation of oxygen-chelated ruthenium alkylidene complexes relying on the Thorpe‒Ingold effect","Organic Chemistry Frontiers","2018","5","9","1532","","10.1039/C8QO00160J","","","0.71073","MoKα","","0.1839","0.1163","","","0.279","0.3651","","","","","","1.281","","","","has coordinates","237088","2020-10-21","18:00:00",""
"1554278","26.317","0.004","17.57","0.002","17.431","0.002","90","","110.1","0.004","90","","7569","1.7","200","2","200.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 N2 O Ru -","- C36 H44 Cl2 N2 O Ru -","- C288 H352 Cl16 N16 O8 Ru8 -","8","1","","Sabbasani, Venkata R.; Gupta, Saswata; Young Yun, Sang; Lee, Daesung","A general approach for the formation of oxygen-chelated ruthenium alkylidene complexes relying on the Thorpe‒Ingold effect","Organic Chemistry Frontiers","2018","5","9","1532","","10.1039/C8QO00160J","","","0.71073","MoKα","","0.0528","0.0417","","","0.1117","0.124","","","","","","1.08","","","","has coordinates","237088","2020-10-21","18:00:00",""
"1554279","17.5111","0.0007","18.0998","0.0006","8.8623","0.0003","90","","98.023","0.004","90","","2781.39","0.17","291.74","0.1","291.74","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 N5 -","- C16 H9 N5 -","- C128 H72 N40 -","8","2","","Xin, Jing-Rui; He, Yan-Hong; Guan, Zhi","Metal-free aerobic oxidative direct C–H amination of electron-deficient alkenes via photoredox catalysis","Organic Chemistry Frontiers","2018","5","10","1684","","10.1039/C8QO00161H","","x-ray","1.54184","CuKα","","0.0739","0.0585","","","0.2017","0.2344","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554280","16.9028","0.0008","16.5253","0.0007","9.9901","0.0004","90","","90","","90","","2790.5","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","2","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0688","0.0592","","","0.1431","0.1482","","","","","","1.597","","","","has coordinates,has disorder","237093","2020-10-21","18:00:00",""
"1554281","13.3145","0.0004","13.4792","0.0004","7.0709","0.0002","90","","93.942","0.001","90","","1266","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 N O -","- C9 H6 N O -","- C72 H48 N8 O8 -","8","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C–H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","1.54178","CuKα","","0.0413","0.0383","","","0.1095","0.1143","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554282","17.23","0.003","8.7235","0.0016","9.6499","0.0018","90","","90","","90","","1450.4","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C–H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0518","0.0476","","","0.1125","0.1155","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554283","8.0334","0.0012","24.561","0.004","9.1052","0.0013","90","","105.603","0.002","90","","1730.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C–H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0655","0.0516","","","0.1345","0.1443","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554284","5.3397","0.0005","12.5882","0.001","17.165","0.0013","95.56","0.003","94.461","0.003","101.447","0.003","1119.93","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C64 H44 N4 O4 -","2","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C–H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.1775","0.1105","","","0.2431","0.2798","","","","","","1.056","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554285","9.533","0.006","17.215","0.01","11.031","0.005","90","","122.95","0.04","90","","1519.1","1.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O -","- C21 H14 O -","- C84 H56 O4 -","4","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C–C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.081","0.0524","","","0.1141","0.1281","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554286","8.166","0.004","9.066","0.005","9.404","0.006","85.402","0.019","75.824","0.017","71.601","0.017","640.5","0.6","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O -","- C17 H14 O -","- C34 H28 O2 -","2","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C–C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.0621","0.0469","","","0.1187","0.1288","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554287","9.603","0.003","10.694","0.004","10.7294","0.0016","70.55","0.05","64.18","0.05","81.02","0.06","935.2","0.7","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O -","- C27 H18 O -","- C54 H36 O2 -","2","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C–C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.0818","0.0595","","","0.1441","0.1523","","","","","","0.995","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554288","8.4085","0.0015","9.35","0.0016","14.153","0.003","105.907","0.01","95.411","0.018","97.753","0.013","1050.2","0.4","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H20 O -","- C31 H20 O -","- C62 H40 O2 -","2","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C–C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.0583","0.0427","","","0.1172","0.1221","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554289","23.315","0.0015","11.3915","0.0007","18.4957","0.0012","90","","93.135","0.003","90","","4905","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Br N2 O2 -","- C30 H25 Br N2 O2 -","- C240 H200 Br8 N16 O16 -","8","2","","Wang, Chao-Ming; Song, Dan; Xia, Peng-Ju; Ye, Zhi-Peng; Xiao, Jun-An; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-catalyzed direct aminoalkylation of isatins: diastereoselective access to 3-hydroxy-3-aminoalkylindolin-2-ones analogues","Organic Chemistry Frontiers","2018","5","10","1608","","10.1039/C8QO00201K","","","0.71073","MoKα","","0.0723","0.0513","","","0.1258","0.1394","","","","","","1.029","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1554290","7.6842","0.0009","19.978","0.002","13.7517","0.0018","90","","98.473","0.012","90","","2088","0.4","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Chen, Wei; Ji, Dong-Sheng; Luo, Yong-Chun; Wang, Zhu-Yin; Xu, Peng-Fei","Directing group assisted ZnI2-catalyzed cyclopropanation of indoles via 2-furylcarbenoids","Organic Chemistry Frontiers","2018","5","11","1768","","10.1039/C8QO00232K","","","0.7107","MoKα","","0.1502","0.0669","","","0.1133","0.1605","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554291","27.4221","0.0008","5.1994","0.0002","19.0212","0.0006","90","","121.717","0.001","90","","2306.99","0.14","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","2","","Liu, Yan; Zeng, Jing; Sun, Jiuchang; Cai, Lei; Zhao, Yueqi; Fang, Jing; Hu, Bo; Shu, Penghua; Meng, Lingkui; Wan, Qian","1,4-Dithiothreitol mediated cleavage of the acetal and ketal type of diol protecting groups","Organic Chemistry Frontiers","2018","5","16","2427","","10.1039/C8QO00247A","","","1.54178","CuKα","","0.0409","0.04","","","0.105","0.1096","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554292","9.0455","0.0008","9.948","0.0009","11.7172","0.0017","94.495","0.01","95.25","0.01","98.331","0.007","1034.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Li, Bingnan; Mai, Shaoyu; Song, Qiuling","Synthesis of fused benzimidazoles via successive nucleophilic additions of benzimidazole derivatives to arynes under transition metal-free conditions","Organic Chemistry Frontiers","2018","5","10","1639","","10.1039/C8QO00251G","","x-ray","0.71073","MoKα","","0.1661","0.1274","","","0.3304","0.3582","","","","","","1.059","","","","has coordinates","237100","2020-10-21","18:00:00",""
"1554293","10.3357","0.0005","23.6593","0.0011","11.6006","0.0005","90","","104.704","0.002","90","","2743.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N O5 -","- C34 H31 N O5 -","- C136 H124 N4 O20 -","4","1","","Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel","Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor–acceptor oxiranes and aziridines","Organic Chemistry Frontiers","2018","5","13","2020","","10.1039/C8QO00255J","","","0.71073","MoKα","","0.0635","0.0477","","","0.1065","0.1145","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554294","10.9629","0.0005","9.8209","0.0004","27.4846","0.0012","90","","91.397","0.001","90","","2958.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O4 -","- C36 H36 N2 O4 -","- C144 H144 N8 O16 -","4","1","","Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel","Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor–acceptor oxiranes and aziridines","Organic Chemistry Frontiers","2018","5","13","2020","","10.1039/C8QO00255J","","","1.54178","CuKα","","0.0398","0.0366","","","0.0937","0.0965","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554295","18.1688","0.0009","18.3501","0.001","11.8464","0.0007","90","","90","","90","","3949.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H44 Cl2 N2 O6 S -","- C44 H44 Cl2 N2 O6 S -","- C176 H176 Cl8 N8 O24 S4 -","4","1","","Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel","Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor–acceptor oxiranes and aziridines","Organic Chemistry Frontiers","2018","5","13","2020","","10.1039/C8QO00255J","","","0.71073","MoKα","","0.0631","0.0463","","","0.1027","0.1119","","","","","","0.918","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554296","12.143","0.003","10.204","0.002","18.499","0.004","90","","94.972","0.012","90","","2283.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O4 S2 -","- C23 H24 N2 O4 S2 -","- C92 H96 N8 O16 S8 -","4","1","","Luo, Fan; Lu, Yu; Hu, Mengjie; Tian, Junsong; Zhang, Lei; Bao, Wangzhen; Yan, Chao; Huang, Xin; Wang, Zhi-Xiang; Peng, Bo","Reductive ortho C–H cyanoalkylation of aryl(heteroaryl) sulfoxides: a general approach to α-aryl(heteroaryl) nitriles","Organic Chemistry Frontiers","2018","5","11","1756","","10.1039/C8QO00268A","","","0.71073","MoKα","","","0.0564","","","0.1209","0.1367","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554297","9.0286","0.0006","24.083","0.0016","10.3285","0.0007","90","","114.965","0.003","90","","2036","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 S2 -","- C21 H22 N2 O2 S2 -","- C84 H88 N8 O8 S8 -","4","1","","Luo, Fan; Lu, Yu; Hu, Mengjie; Tian, Junsong; Zhang, Lei; Bao, Wangzhen; Yan, Chao; Huang, Xin; Wang, Zhi-Xiang; Peng, Bo","Reductive ortho C–H cyanoalkylation of aryl(heteroaryl) sulfoxides: a general approach to α-aryl(heteroaryl) nitriles","Organic Chemistry Frontiers","2018","5","11","1756","","10.1039/C8QO00268A","","","0.71073","MoKα","","","0.0439","","","0.1166","0.1287","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554298","10.4066","0.0014","26.417","0.004","12.0692","0.0014","90","","90","","90","","3318","0.8","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ZHY7009","","- C26 H39 Cl2 Co N3 O12 -","- C26 H39 Cl2 Co N3 O12 -","- C104 H156 Cl8 Co4 N12 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","0.71073","MoKα","","0.1363","0.0755","","","0.1596","0.1969","","","","","","1.003","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554299","10.3907","0.0009","11.9429","0.0011","26.537","0.003","90","","90","","90","","3293.1","0.6","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ZHY7163","","- C26 H39 Cl2 N3 Ni O12 -","- C26 H39 Cl2 N3 Ni O12 -","- C104 H156 Cl8 N12 Ni4 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","0.71073","MoKα","","0.128","0.0735","","","0.1546","0.1907","","","","","","1.011","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554300","6.96436","0.00013","7.91974","0.00013","15.2392","0.0003","90","","92.2266","0.0016","90","","839.9","0.03","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","ZHY8126","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","1.54184","CuKα","","0.041","0.0395","","","0.1052","0.1077","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554301","10.3081","0.0003","11.98","0.0002","26.1548","0.0005","90","","90","","90","","3229.88","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","zhy8105","","- C26 H41 Cl2 Fe N3 O12 -","- C26 H41 Cl2 Fe N3 O12 -","- C104 H164 Cl8 Fe4 N12 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","x-ray","1.54184","CuKα","","0.0535","0.0491","","","0.1266","0.1292","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554302","10.0093","0.0002","14.3918","0.0003","10.7208","0.0002","90","","104.176","0.002","90","","1497.32","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Yu, Ji-cong; Yu, Le-mao; Zhao, Xiao-yun; Gan, Lu; Zhu, Wei-wei; Wang, Ze-chen; Wang, Rui; Jiang, Xianxing","Organocatalytic asymmetric [3 + 2] annulation of 1,4-dithiane-2,5-diol with azlactones: access to chiral dihydrothiophen-2(3H)-one derivatives","Organic Chemistry Frontiers","2018","5","13","2040","","10.1039/C8QO00305J","","x-ray","1.54184","CuKα","","0.031","0.0297","","","0.0746","0.0756","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554303","6.54242","0.00011","22.4359","0.0003","10.03319","0.00017","90","","102.165","0.0017","90","","1439.65","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Yu, Ji-cong; Yu, Le-mao; Zhao, Xiao-yun; Gan, Lu; Zhu, Wei-wei; Wang, Ze-chen; Wang, Rui; Jiang, Xianxing","Organocatalytic asymmetric [3 + 2] annulation of 1,4-dithiane-2,5-diol with azlactones: access to chiral dihydrothiophen-2(3H)-one derivatives","Organic Chemistry Frontiers","2018","5","13","2040","","10.1039/C8QO00305J","","x-ray","1.54184","CuKα","","0.0359","0.0348","","","0.0929","0.094","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554304","5.9758","0.0003","8.5937","0.0004","15.7695","0.0007","90","","93.352","0.002","90","","808.45","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C34 H36 Cl2 N2 O4 -","2","1","","Hu, Yang; Yin, Xuguang; Chen, Ziyi; Dong, Xiu-Qin; Zhang, Xumu","Highly enantioselective Ir/f-amphox-catalyzed hydrogenation of ketoamides: efficient access to chiral hydroxy amides","Organic Chemistry Frontiers","2018","5","12","2000","","10.1039/C8QO00307F","","","1.54178","CuKα","","0.0426","0.0371","","","0.1144","0.1175","","","","","","1.131","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554305","6.4792","0.0004","25.1943","0.0014","10.1094","0.0006","90","","106.673","0.006","90","","1580.87","0.17","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H7 Cl4 F10 N3 O2 -","- C32 H7 Cl4 F10 N3 O2 -","- C64 H14 Cl8 F20 N6 O4 -","2","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0694","0.0441","","","0.0889","0.1004","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554306","6.3689","0.0005","19.2075","0.001","14.4005","0.0009","90","","96.153","0.007","90","","1751.5","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H11 Cl2 F10 N5 O2.5 -","- C36 H11 Cl2 F10 N5 O2.5 -","- C72 H22 Cl4 F20 N10 O5 -","2","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0931","0.0683","","","0.2181","0.2414","","","","","","1.117","","","","has coordinates","237111","2020-10-21","18:00:00",""
"1554307","18.5573","0.001","18.3335","0.0013","14.8419","0.001","90","","90","","90","","5049.5","0.6","180","0.1","180","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H7 Br2 F10 N5 O3 -","- C38 H7 Br2 F10 N5 O3 -","- C152 H28 Br8 F40 N20 O12 -","4","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0938","0.0702","","","0.1845","0.2056","","","","","","1.065","","","","has coordinates,has disorder","237111","2020-10-21","18:00:00",""
"1554308","8.2423","0.0002","18.2962","0.0006","34.5544","0.0012","90","","90","","90","","5210.9","0.3","117.5","0.3","117.5","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 F N O8 S -","- C28 H26 F N O8 S -","- C224 H208 F8 N8 O64 S8 -","8","1","","Xing, Siyang; Cui, Hong; Qin, Jiajing; Gu, Nan; Zhang, Bowei; Wang, Kui; Wang, Ying; Xia, Li; Wang, Yumeng","Diastereoselective synthesis of cis-1,3-disubstituted isoindolines via a highly site-selective tandem cyclization reaction","Organic Chemistry Frontiers","2018","5","12","1950","","10.1039/C8QO00316E","","x-ray","1.54184","CuKα","","0.0828","0.0624","","","0.1503","0.167","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554309","21.4204","0.0015","21.5628","0.0012","14.5587","0.0008","90","","97.091","0.006","90","","6673","0.7","135","0.1","135","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.8 H27.6 N2 O10 S -","- C28.8 H27.6 N2 O10 S -","- C230.4 H220.8 N16 O80 S8 -","8","2","","Xing, Siyang; Cui, Hong; Qin, Jiajing; Gu, Nan; Zhang, Bowei; Wang, Kui; Wang, Ying; Xia, Li; Wang, Yumeng","Diastereoselective synthesis of cis-1,3-disubstituted isoindolines via a highly site-selective tandem cyclization reaction","Organic Chemistry Frontiers","2018","5","12","1950","","10.1039/C8QO00316E","","x-ray","0.71073","MoKα","","0.1508","0.0971","","","0.2658","0.32","","","","","","1.057","","","","has coordinates,has disorder","237113","2020-10-21","18:00:00",""
"1554310","10.5915","0.0002","15.1258","0.0002","9.0257","0.0002","90","","109.468","0.002","90","","1363.29","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zheng, Wei-Feng; Zhang, Wanli; Huang, Jianhao; Yu, Yibo; Qian, Hui; Ma, Shengming","2,3-Allenoic acids via palladium-catalyzed carboxylation of propargylic alcohols","Organic Chemistry Frontiers","2018","5","12","1900","","10.1039/C8QO00318A","","x-ray","1.54184","CuKα","","0.0407","0.0369","","","0.0989","0.1021","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554311","5.6491","0.0004","11.5037","0.0011","11.5175","0.0007","111.795","0.007","99.48","0.006","90.087","0.007","683.87","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C30 H36 O4 -","2","1","","Zheng, Wei-Feng; Zhang, Wanli; Huang, Jianhao; Yu, Yibo; Qian, Hui; Ma, Shengming","2,3-Allenoic acids via palladium-catalyzed carboxylation of propargylic alcohols","Organic Chemistry Frontiers","2018","5","12","1900","","10.1039/C8QO00318A","","x-ray","1.54184","CuKα","","0.0879","0.068","","","0.2031","0.2213","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554312","10.573","0.004","7.311","0.002","11.35","0.004","90","","115.216","0.005","90","","793.7","0.5","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C32 H34 Br2 O8 -","2","1","","Li, Sujia; Lv, Jian; Luo, Sanzhong","Enantioselective indium(i)-catalyzed [4 + 2] annulation of alkoxyallenes and β,γ-unsaturated α-keto esters","Organic Chemistry Frontiers","2018","5","11","1787","","10.1039/C8QO00319J","","","0.71073","MoKα","","0.0388","0.0359","","","0.077","0.0793","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554313","8.46","0.02","9.59","0.02","11.8","0.03","97.55","0.09","104.24","0.19","108.51","0.13","857","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Q3","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C40 H36 N8 O4 -","2","1","","Toonchue, Saowanee; Sumunnee, Ladawan; Phomphrai, Khamphee; Yotphan, Sirilata","Metal-free direct oxidative C–C bond coupling of pyrazolones and quinoxalinones","Organic Chemistry Frontiers","2018","5","12","1928","","10.1039/C8QO00328A","","","0.71073","","","0.0784","0.0461","","","0.1022","0.1147","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554314","9.998","0.005","9.281","0.004","14.416","0.006","90","","95.77","0.02","90","","1330.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Q5","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","","Toonchue, Saowanee; Sumunnee, Ladawan; Phomphrai, Khamphee; Yotphan, Sirilata","Metal-free direct oxidative C–C bond coupling of pyrazolones and quinoxalinones","Organic Chemistry Frontiers","2018","5","12","1928","","10.1039/C8QO00328A","","","0.71073","","","0.0416","0.037","","","0.0957","0.0993","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554315","7.3563","0.0012","46.699","0.007","12.909","0.002","90","","92.798","0.004","90","","4429.4","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H40.5 O3.25 Si -","- C20 H40.5 O3.25 Si -","- C160 H324 O26 Si8 -","8","4","","Santalla, Hugo; Garrido, Fátima; Gómez, Generosa; Fall, Yagamare","A more reliable synthesis of a Gemini vitamin D analog, a potentially effective chemotherapeutic agent for the treatment of colorectal carcinomas","Organic Chemistry Frontiers","2018","5","13","2016","","10.1039/C8QO00338F","","","0.71073","MoKα","","0.2634","0.1846","","","0.3663","0.4018","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554316","10.1535","0.0002","10.5316","0.0002","25.565","0.0006","90","","90","","90","","2733.73","0.1","297.6","0.8","297.6","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O5 -","- C32 H31 N O5 -","- C128 H124 N4 O20 -","4","1","","Duan, Chuan-Qi; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric [4 + 2] cycloadditions with 3-furfural derivatives and α-cyano-α,β-unsaturated ketones","Organic Chemistry Frontiers","2018","5","13","2057","","10.1039/C8QO00351C","","x-ray","1.54184","CuKα","","0.0447","0.0432","","","0.1184","0.1208","","","","","","1.0435","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554317","10.0726","0.0019","10.735","0.002","19.604","0.004","82.045","0.004","86.428","0.005","81.212","0.005","2072.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Br N O2 S -","- C23 H20 Br N O2 S -","- C92 H80 Br4 N4 O8 S4 -","4","2","","Jiang, Bo; Wei, Yin; Shi, Min","Gold- and silver-catalyzed intramolecular annulation and rearrangement of aniline-linked 1,6-enynes containing methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2091","","10.1039/C8QO00358K","","","0.71073","MoKα","","0.1374","0.0618","","","0.1248","0.1556","","","","","","0.968","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554318","9.447","0.004","10.559","0.005","12.512","0.006","76.431","0.008","77.755","0.009","64.585","0.007","1087","0.9","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C52 H46 N2 O4 S2 -","2","1","","Jiang, Bo; Wei, Yin; Shi, Min","Gold- and silver-catalyzed intramolecular annulation and rearrangement of aniline-linked 1,6-enynes containing methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2091","","10.1039/C8QO00358K","","","0.71073","MoKα","","0.1889","0.0964","","","0.2442","0.3157","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554319","11.7526","0.0016","13.4984","0.0019","13.5265","0.0019","90","","92.44","0.004","90","","2143.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C104 H92 N4 O8 S4 -","4","1","","Jiang, Bo; Wei, Yin; Shi, Min","Gold- and silver-catalyzed intramolecular annulation and rearrangement of aniline-linked 1,6-enynes containing methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2091","","10.1039/C8QO00358K","","","0.71073","MoKα","","0.1633","0.0757","","","0.1824","0.2426","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554320","9.00774","0.00012","11.44511","0.00014","29.0288","0.0003","90","","90","","90","","2992.71","0.06","293.8","0.5","293.8","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((1R,2R,3R,3aS)-1'-benzyl-2'-oxo-1,2-dihydro-3aH-spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indoline]-1,2-diyl)bis(phenylmethanone)","","- C38 H28 N2 O3 S -","- C38 H28 N2 O3 S -","- C152 H112 N8 O12 S4 -","4","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0518","0.0487","","","0.1321","0.1365","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554321","14.8962","0.0011","11.3205","0.0008","20.153","0.002","90","","102.279","0.009","90","","3320.7","0.5","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H28 N2 O4 S -","- C38 H28 N2 O4 S -","- C152 H112 N8 O16 S4 -","4","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1095","0.1153","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554322","6.3467","0.00018","16.1435","0.0004","10.7987","0.0003","90","","96.301","0.003","90","","1099.73","0.05","295.97","0.11","295.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N O4 S -","- C26 H21 N O4 S -","- C52 H42 N2 O8 S2 -","2","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0639","0.0618","","","0.1519","0.1572","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554323","10.4185","0.0009","15.4927","0.0012","15.8277","0.0018","90","","95.756","0.008","90","","2541.9","0.4","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H22 Cl N O2 S -","- C30 H22 Cl N O2 S -","- C120 H88 Cl4 N4 O8 S4 -","4","2","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","0.71073","MoKα","","0.1377","0.1004","","","0.2762","0.3105","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554324","9.2007","0.0002","9.2791","0.0004","14.237","0.0005","97.598","0.003","91.193","0.003","97.349","0.003","1194.02","0.07","139","","139","","","","","","","","","7","P 1","P 1","1","","","","- C31 H56 F6 Mg N4 O14 S2 -","- C31 H56 F6 Mg N4 O14 S2 -","- C31 H56 F6 Mg N4 O14 S2 -","1","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0653","0.061","","","0.1662","0.1745","","","","","","1.023","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554325","8.2339","0.0002","14.7918","0.0004","17.1794","0.0005","101.33","0.002","95.203","0.002","106.126","0.002","1947.28","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O -","- C25 H19 N3 O -","- C100 H76 N12 O4 -","4","2","","Liu, Yun-Lin; Mao, Xiang-Yu; Lin, Xiao-Tong; Chen, Guo-Shu","A Zn(OTf)2 catalyzed Ugi-type reaction of 3-(2-isocyanoethyl)indoles with indole-derived ketimines: rapid access to hexacyclic spiroindolines","Organic Chemistry Frontiers","2018","5","15","2303","","10.1039/C8QO00382C","","x-ray","1.54184","CuKα","","0.0445","0.0407","","","0.0982","0.1005","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554326","19.5242","0.0003","8.4475","0.0001","25.582","0.0004","90","","107.178","0.002","90","","4031.04","0.11","100","10","100","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N3 O2 -","- C25 H16 F3 N3 O2 -","- C200 H128 F24 N24 O16 -","8","2","","Liu, Yun-Lin; Mao, Xiang-Yu; Lin, Xiao-Tong; Chen, Guo-Shu","A Zn(OTf)2 catalyzed Ugi-type reaction of 3-(2-isocyanoethyl)indoles with indole-derived ketimines: rapid access to hexacyclic spiroindolines","Organic Chemistry Frontiers","2018","5","15","2303","","10.1039/C8QO00382C","","","1.54178","CuKα","","0.0536","0.0494","","","0.141","0.1456","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554327","18.7671","0.0001","18.7671","0.0001","24.2076","0.0003","90","","90","","90","","8526.01","0.12","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C26 H21 F2 N3 -","- C26 H21 F2 N3 -","- C416 H336 F32 N48 -","16","1","","Liu, Yun-Lin; Mao, Xiang-Yu; Lin, Xiao-Tong; Chen, Guo-Shu","A Zn(OTf)2 catalyzed Ugi-type reaction of 3-(2-isocyanoethyl)indoles with indole-derived ketimines: rapid access to hexacyclic spiroindolines","Organic Chemistry Frontiers","2018","5","15","2303","","10.1039/C8QO00382C","","x-ray","1.54184","CuKα","","0.0426","0.0395","","","0.098","0.1","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554328","57.5837","0.0019","5.8021","0.0002","8.0527","0.0003","90","","90","","90","","2690.46","0.16","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 Cl O -","- C16 H15 Cl O -","- C128 H120 Cl8 O8 -","8","1","","Chen, Mintao; Wei, Yin; Shi, Min","A facile method for the synthesis of trifluoromethylthio-/chloro-homoallylic alcohols from methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2030","","10.1039/C8QO00386F","","","0.71073","MoKα","","0.0589","0.0509","","","0.123","0.1297","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554329","10.0641","0.0003","10.4692","0.0002","12.4244","0.0003","90.033","0.001","93.737","0.001","96.649","0.001","1297.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 O2 S -","- C12 H13 F3 O2 S -","- C48 H52 F12 O8 S4 -","4","2","","Chen, Mintao; Wei, Yin; Shi, Min","A facile method for the synthesis of trifluoromethylthio-/chloro-homoallylic alcohols from methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2030","","10.1039/C8QO00386F","","","0.71073","MoKα","","0.0544","0.0413","","","0.1119","0.1252","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554330","12.134","0.003","13.857","0.004","17.116","0.004","70.214","0.005","75.507","0.005","73.496","0.005","2558.3","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H78 O2 -","- C66 H78 O2 -","- C132 H156 O4 -","2","1","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.1305","0.0604","","","0.1323","0.1658","","","","","","1.006","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554331","9.3311","0.0006","9.8219","0.0006","16.1042","0.001","103.794","0.001","94.992","0.001","112.566","0.001","1297.14","0.14","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C68 H74 -","- C68 H74 -","- C68 H74 -","1","0.5","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.0998","0.064","","","0.1856","0.203","","","","","","1.1","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554332","15.3329","0.0008","18.3488","0.001","15.6332","0.0008","90","","99.6319","0.001","90","","4336.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95.5 H118 Cl4.5 O4.93 -","- C95.5 H118 Cl4.497 O4.855 -","- C191 H236 Cl8.994 O9.71 -","2","1","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.1041","0.0787","","","0.2132","0.2326","","","","","","1.061","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554333","32.048","0.0019","25.4121","0.0015","26.3829","0.0015","90","","102.865","0.0011","90","","20947","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C127.75 H123 O1.75 -","- C127.75 H123 O1.75 -","- C1022 H984 O14 -","8","1","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.1598","0.0833","","","0.2135","0.244","","","","","","1.025","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554334","9.5467","0.0009","13.5703","0.0018","26.06","0.002","90","","90","","90","","3376.1","0.6","294.24","0.1","294.24","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 Cl3 Fe N3 O4 -","- C34 H34 Cl3 Fe N3 O4 -","- C136 H136 Cl12 Fe4 N12 O16 -","4","1","","Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu","Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone–ferrocene hybrids as novel RalA inhibitors","Organic Chemistry Frontiers","2018","5","14","2229","","10.1039/C8QO00422F","","x-ray","1.54184","CuKα","","0.079","0.0679","","","0.1643","0.1774","","","","","","1.082","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1554335","12.0535","0.0003","12.0535","0.0003","43.8649","0.0013","90","","90","","90","","6373","0.3","139.05","0.1","139.05","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C34 H35 Cl2 Fe N3 O4 -","- C34 H35 Cl2 Fe N3 O4 -","- C272 H280 Cl16 Fe8 N24 O32 -","8","1","","Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu","Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone‒ferrocene hybrids as novel RalA inhibitors","Organic Chemistry Frontiers","2018","5","14","2229","","10.1039/C8QO00422F","","x-ray","1.54184","CuKα","","0.0745","0.063","","","0.1467","0.1552","","","","","","1.07","","","","has coordinates","237136","2020-10-21","18:00:00",""
"1554336","18.4603","0.0003","16.6736","0.0003","13.8087","0.001","90","","103.239","0.007","90","","4137.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R,2R,4aS,12bS)-1-chloro-2-hydroxy-2,5,5,7-tetramethyl-1,2,3,4,4a,5,7,12b-octahydro-12H-isochromeno[3,4-b]quinolin-12-one","","- C20.57 H26.27 Cl N O3.57 -","- C20 H24 Cl N O3 -","- C160 H192 Cl8 N8 O24 -","8","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.1415","0.0783","","","0.2","0.2755","","","","","","1.043","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554337","11.4568","0.0005","11.4834","0.0003","14.2866","0.0007","94.508","0.003","106.183","0.004","90.764","0.002","1798.31","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","0.71073","MoKα","","0.0761","0.0637","","","0.1833","0.1899","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554338","17.0841","0.0012","18.7193","0.0011","11.1858","0.0007","90","","100.62","0.007","90","","3516","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C160 H200 N8 O32 -","8","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.054","0.0402","","","0.105","0.1242","","","","","","1.135","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554339","11.3027","0.0005","7.2512","0.0002","23.102","0.0016","90","","98.784","0.007","90","","1871.19","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl N O5 -","- C20 H24 Cl N O5 -","- C80 H96 Cl4 N4 O20 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.0596","0.0463","","","0.1156","0.1277","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554340","7.508","0.0002","11.2397","0.0003","21.9828","0.0015","90","","90","","90","","1855.08","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6aS,9R,10R,10aS)-10-chloro-9-hydroxy-6,6,9,12-tetramethyl-6,6a,7,8,9,10,10a,12-octahydro-11H-isochromeno[4,3-c]quinolin-11-one)","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.1108","0.0543","","","0.0941","0.141","","","","","","1.14","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554341","17.278","0.002","12.6989","0.001","17.255","0.002","90","","102.191","0.013","90","","3700.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O4 -","- C20 H22 Cl N O4 -","- C160 H176 Cl8 N8 O32 -","8","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","0.71073","MoKα","","0.1125","0.0613","","","0.1331","0.1521","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554342","16.127","0.0008","7.209","0.0004","16.3705","0.0009","90","","91.08","0.005","90","","1902.89","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C80 H104 Cl4 N4 O16 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","x-ray","0.71073","MoKα","","0.0917","0.0692","","","0.1793","0.1929","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554343","10.2096","0.0003","12.8487","0.0004","12.9425","0.0004","90","","107.01","0.004","90","","1623.53","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","0.71073","MoKα","","0.0431","0.0379","","","0.1059","0.1095","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554344","5.5872","0.0007","13.9109","0.0013","14.4106","0.0018","112.533","0.01","98.978","0.011","94.422","0.009","1010.3","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O5 S -","- C24 H24 O5 S -","- C48 H48 O10 S2 -","2","1","","Cui, Zhiming; Zhu, Baofu; Li, Xuechen; Cao, Hua","Access to sulfonylated furans or imidazo[1,2-a]pyridines via a metal-free three-component, domino reaction","Organic Chemistry Frontiers","2018","5","14","2219","","10.1039/C8QO00443A","","x-ray","0.71073","MoKα","","0.0762","0.0633","","","0.1555","0.1681","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554345","10.194","0.002","14.232","0.003","12.523","0.003","90","","106.045","0.006","90","","1746.1","0.7","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3c","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Jia, Xiaodong; Hou, Wentao; Chen, Qian; Yuan, Yu; Sun, Jing; He, Kaixuan","Oxidation of active sp3C–H bonds initiated consecutive intermolecular/intramolecular cyclization between glycine derivatives ando-vinylphenols: construction of a polycyclic benzofuroquinoline skeleton","Organic Chemistry Frontiers","2018","5","16","2479","","10.1039/C8QO00444G","","","0.71073","MoKα","","0.1014","0.0609","","","0.1599","0.1822","","","","","","1.067","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554346","9.1376","0.0008","9.5813","0.0009","10.8392","0.001","105.957","0.003","95.789","0.003","98.506","0.003","892.32","0.14","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Jia, Xiaodong; Hou, Wentao; Chen, Qian; Yuan, Yu; Sun, Jing; He, Kaixuan","Oxidation of active sp3C–H bonds initiated consecutive intermolecular/intramolecular cyclization between glycine derivatives ando-vinylphenols: construction of a polycyclic benzofuroquinoline skeleton","Organic Chemistry Frontiers","2018","5","16","2479","","10.1039/C8QO00444G","","","0.71073","MoKα","","0.0596","0.0459","","","0.1257","0.1347","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554347","21.194","0.005","8.4619","0.0012","27.57","0.01","90","","109.98","0.03","90","","4647","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O -","- C11.6 H8.6 N0.8 O1.6 -","- C232 H172 N16 O32 -","20","5","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","","0.71073","MoKα","","0.3157","0.1526","","","0.3538","0.4478","","","","","","1.025","","","","has coordinates","237146","2020-10-21","18:00:00",""
"1554348","10.9697","0.0018","16.013","0.003","13.031","0.002","90","","105.898","0.018","90","","2201.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","x-ray","0.71073","MoKα","","0.21","0.1166","","","0.3294","0.3693","","","","","","0.991","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554349","24.1341","0.0014","25.4123","0.0013","26.638","0.0017","90","","90","","90","","16337.2","1.6","173","2","173.15","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5.5 H5.62 N0.12 O0.5 -","- C5.5 H5.625 N0.125 O0.5 -","- C704 H720 N16 O64 -","128","4","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","","0.71073","MoKα","","0.0942","0.0766","","","0.2293","0.244","","","","","","1.068","","","","has coordinates","237146","2020-10-21","18:00:00",""
"1554350","9.4355","0.0005","10.2231","0.0006","17.9161","0.0011","87.132","0.005","84.213","0.005","68.822","0.005","1603.09","0.17","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C68 H66 N2 O6 -","2","1","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","","0.71073","MoKα","","0.1162","0.0845","","","0.2197","0.2349","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554351","40.9015","0.0014","40.9015","0.0014","9.3338","0.0005","90","","90","","90","","15614.8","1.1","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C45 H68 N2 O2 -","- C45 H68 N2 O2 -","- C720 H1088 N32 O32 -","16","1","","Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy","The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes","Organic Chemistry Frontiers","2018","5","13","2073","","10.1039/C8QO00447A","","x-ray","1.54178","CuKα","","0.053","0.039","","","0.0921","0.1006","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554352","21.6194","0.0008","10.6383","0.0004","26.8304","0.001","90","","95.299","0.002","90","","6144.4","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 B2 F8 Fe N2 O2 -","- C56 H78 B2 F8 Fe N2 O2 -","- C224 H312 B8 F32 Fe4 N8 O8 -","4","0.5","","Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy","The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes","Organic Chemistry Frontiers","2018","5","13","2073","","10.1039/C8QO00447A","","","0.71073","MoKα","","0.068","0.0546","","","0.1126","0.1185","","","","","","1.039","","","","has coordinates,has disorder","237149","2020-10-21","18:00:00",""
"1554353","21.3381","0.0005","10.2919","0.0003","24.6126","0.0006","90","","111.615","0.001","90","","5025.1","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H71 B2 F8 N3 O2 -","- C47 H71 B2 F8 N3 O2 -","- C188 H284 B8 F32 N12 O8 -","4","1","","Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy","The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes","Organic Chemistry Frontiers","2018","5","13","2073","","10.1039/C8QO00447A","","x-ray","1.54178","CuKα","","0.0641","0.0515","","","0.1361","0.1447","","","","","","1.03","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554354","6.4711","0.0006","15.6577","0.0015","9.2786","0.0009","90","","90.334","0.007","90","","940.12","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O7 -","- C19 H26 O7 -","- C38 H52 O14 -","2","1","","Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong","Structurally diverse diterpenoids from Isodon pharicus","Organic Chemistry Frontiers","2018","5","15","2379","","10.1039/C8QO00477C","","","1.54178","CuKα","","0.1943","0.1909","","","0.4189","0.4274","","","","","","1.932","","","","has coordinates","237151","2020-10-21","18:00:00",""
"1554355","6.6084","0.0001","11.8396","0.0002","22.9114","0.0004","90","","90","","90","","1792.61","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong","Structurally diverse diterpenoids from Isodon pharicus","Organic Chemistry Frontiers","2018","5","15","2379","","10.1039/C8QO00477C","","","1.54178","CuKα","","0.0305","0.0305","","","0.0772","0.0772","","","","","","1.131","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554356","7.2615","0.0001","11.8328","0.0002","14.2292","0.0003","90","","94.546","0.002","90","","1218.78","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N S2 -","- C14 H11 N S2 -","- C56 H44 N4 S8 -","4","1","","Tan, Wei; Wang, Cuihong; Jiang, Xuefeng","Green carbon disulfide surrogateviaa combination of potassium sulfide and chloroform for benzothiazine-thione and benzothiazole-thione construction","Organic Chemistry Frontiers","2018","5","15","2390","","10.1039/C8QO00481A","","x-ray","1.54184","CuKα","","0.0363","0.0343","","","0.094","0.0954","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554357","8.3766","0.0002","6.2895","0.0001","25.7206","0.0006","90","","95.618","0.002","90","","1348.57","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N S2 -","- C15 H13 N S2 -","- C60 H52 N4 S8 -","4","1","","Tan, Wei; Wang, Cuihong; Jiang, Xuefeng","Green carbon disulfide surrogateviaa combination of potassium sulfide and chloroform for benzothiazine-thione and benzothiazole-thione construction","Organic Chemistry Frontiers","2018","5","15","2390","","10.1039/C8QO00481A","","x-ray","1.54184","CuKα","","0.0488","0.042","","","0.1073","0.1121","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554358","12.874","0.0005","4.9","0.0002","13.9299","0.0006","90","","93.36","0.003","90","","877.22","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Cheng, Yuyu; Fang, Zhiqiang; Li, Wenjun; Li, Pengfei","Phosphine-mediated enantioselective [4 + 1] annulations between ortho-quinone methides and Morita–Baylis–Hillman carbonates","Organic Chemistry Frontiers","2018","5","18","2728","","10.1039/C8QO00487K","","x-ray","1.54178","CuKα","","0.079","0.0699","","","0.1821","0.1928","","","","","","1.048","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554359","9.6906","0.0009","10.9669","0.0011","11.5436","0.0013","70.045","0.01","86.183","0.008","84.832","0.008","1147.6","0.2","295.1","0.2","295.1","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 B2 N O4 -","- C21 H31 B2 N O4 -","- C42 H62 B4 N2 O8 -","2","1","","Gao, Guoliang; Kuang, Zhijie; Song, Qiuling","Functionalized geminal-diborylalkanes from various electron-deficient alkynes and B2pin2","Organic Chemistry Frontiers","2018","5","14","2249","","10.1039/C8QO00513C","","x-ray","0.71073","MoKα","","0.1265","0.0724","","","0.1726","0.2056","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554360","10.0513","0.0014","15.5408","0.0016","19.0622","0.0018","88.904","0.008","83.3","0.01","87.795","0.01","2954.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 B2 O5 -","- C30 H42 B2 O5 -","- C120 H168 B8 O20 -","4","2","","Gao, Guoliang; Kuang, Zhijie; Song, Qiuling","Functionalized geminal-diborylalkanes from various electron-deficient alkynes and B2pin2","Organic Chemistry Frontiers","2018","5","14","2249","","10.1039/C8QO00513C","","","0.71073","MoKα","","0.1816","0.0933","","","0.2566","0.3251","","","","","","1.012","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554361","10.3174","0.0005","12.4692","0.0006","20.4932","0.001","90","","96.89","0.001","90","","2617.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cl3 N2 Pd -","- C28 H31 Cl3 N2 Pd -","- C112 H124 Cl12 N8 Pd4 -","4","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0291","0.0258","","","0.0618","0.0636","","","","","","1.023","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554362","10.0241","0.0006","11.2921","0.0007","11.727","0.0007","92.4","0.002","105.358","0.001","106.802","0.001","1215.24","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 Cl N2 O Pd -","- C28 H31 Cl N2 O Pd -","- C56 H62 Cl2 N4 O2 Pd2 -","2","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0232","0.0216","","","0.057","0.058","","","","","","1.063","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554363","18.6245","0.0007","13.7023","0.0006","22.6048","0.0011","90","","90","","90","","5768.7","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl F3 N2 Pd -","- C28 H28 Cl F3 N2 Pd -","- C224 H224 Cl8 F24 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0752","0.0525","","","0.1484","0.1683","","","","","","1.052","","","","has coordinates,has disorder","237157","2020-10-21","18:00:00",""
"1554364","18.9753","0.0007","19.6328","0.0008","20.1865","0.0008","90","","90","","90","","7520.2","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H39 Cl N2 Pd -","- C48 H39 Cl N2 Pd -","- C384 H312 Cl8 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0436","0.0295","","","0.0645","0.0701","","","","","","1.041","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554365","12.6497","0.0005","9.0221","0.0002","14.1532","0.0005","90","","113.568","0.004","90","","1480.53","0.1","294.46","0.1","294.46","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H32 Br N3 O3 -","- C35 H32 Br N3 O3 -","- C70 H64 Br2 N6 O6 -","2","1","","Mei, Hongjiang; Lin, Lili; Shen, Bin; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective desymmetrization of prochiral cyclic α,α-dicyanoalkenes via the direct vinylogous Michael/cyclization domino reaction","Organic Chemistry Frontiers","2018","5","16","2505","","10.1039/C8QO00545A","","x-ray","1.54184","CuKα","","0.0462","0.0455","","","0.1144","0.1157","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554366","18.6922","0.0009","5.447","0.0003","14.5323","0.0007","90","","92.936","0.004","90","","1477.68","0.13","99.9","0.2","99.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(methylsulfonyl)-8-phenyl-2,8-dihydroindeno[1,2-c]pyrrole","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Shen, Wen-Bo; Zhou, Bo; Zhang, Zhi-Xin; Yuan, Han; Fang, Wei; Ye, Long-Wu","Gold-catalyzed cascade cyclization of N-propargyl ynamides: rapid access to functionalized indeno[1,2-c]pyrroles","Organic Chemistry Frontiers","2018","5","16","2468","","10.1039/C8QO00552D","","x-ray","1.54184","CuKα","","0.0473","0.0457","","","0.1183","0.1198","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554367","7.5235","0.0007","5.5446","0.0008","10.2976","0.001","90","","99.85","0.01","90","","423.23","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N O -","- C10 H9 N O -","- C20 H18 N2 O2 -","2","1","","Wu, Qi; Li, Yabo; Wang, Chenyang; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","1,4-Refunctionalization of β-diketones to γ-keto nitriles via C–C single bond cleavage","Organic Chemistry Frontiers","2018","5","16","2496","","10.1039/C8QO00556G","","x-ray","1.54184","CuKα","","0.0863","0.0682","","","0.1904","0.2218","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554368","7.933","0.0006","11.1848","0.0007","13.1762","0.001","72.919","0.006","73.841","0.006","84.499","0.005","1073.26","0.14","100","2","100.15","","","","","","","","Synthesis","5","P -1","-P 1","2","5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline","5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline","","- C28 H17 F3 N2 O1.01 -","- C28 H17 F3 N2 O -","- C56 H34 F6 N4 O2 -","2","1","","Vivek Kumar, Sundaravel; Ellairaja, Sundaram; Satheesh, Vanaparthi; Sivasamy Vasantha, Vairathevar; Punniyamurthy, Tharmalingam","Rh-Catalyzed regioselective C‒H activation and C‒C bond formation: synthesis and photophysical studies of indazolo[2,3-a]quinolines","Organic Chemistry Frontiers","2018","5","18","2630","","10.1039/C8QO00557E","","x-ray","0.71073","MoKα","","0.1282","0.0827","","","0.1973","0.2309","","","","","","1.051","","","","has coordinates,has disorder","237163","2020-10-21","18:00:00",""
"1554369","10.757","0.009","12.558","0.01","14.389","0.012","90","","99.306","0.01","90","","1918","3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H37 Cl3 N2 O2 -","- C43 H37 Cl3 N2 O2 -","- C86 H74 Cl6 N4 O4 -","2","1","","Lu, Yi-Nan; Ma, Chun; Lan, Jin-Ping; Zhu, Caiqiang; Mao, Yu-Jia; Mei, Guang-Jian; Zhang, Shu; Shi, Feng","Catalytic enantioselective and regioselective substitution of 2,3-indolyldimethanols with enaminones","Organic Chemistry Frontiers","2018","5","18","2657","","10.1039/C8QO00565F","","","0.71073","MoKα","","0.1189","0.0663","","","0.1372","0.1587","","","","","","0.988","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554370","22.7223","0.0019","5.7888","0.0004","25.159","0.002","90","","95.416","0.008","90","","3294.5","0.4","293","2","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Ma, Dengke; Song, Yulong; Fu, Chunling; Zhang, Fang; Guo, Yinlong; Huang, Xin; Ma, Shengming","E-Selective N-heterocyclic carbene-catalyzed reaction of aldehydes and butadienoates: effect of water and chloroform as the proton shuttle","Organic Chemistry Frontiers","2018","5","17","2560","","10.1039/C8QO00579F","","","0.71073","MoKα","","0.0817","0.0554","","","0.1329","0.1558","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554371","10.2719","0.0007","10.4262","0.0007","11.7012","0.0008","69.168","0.002","73.012","0.002","86.849","0.002","1118.45","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl N O3 S -","- C25 H22 Cl N O3 S -","- C50 H44 Cl2 N2 O6 S2 -","2","1","","Wang, Hepan; Wang, Bingbing; Sun, Song; Cheng, Jiang","Copper-catalyzed radical Heck type cyclization: a three-component reaction of DABCO·(SO2)2, aryldiazonium tetrafluoroborates and dienes toward sulfonated benzo- seven-membered nitrogen heterocycles","Organic Chemistry Frontiers","2018","5","17","2547","","10.1039/C8QO00615F","","","0.71073","MoKα","","0.0482","0.0415","","","0.1106","0.1153","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554372","9.5372","0.0007","10.0615","0.0008","11.5029","0.0009","74.116","0.002","83.655","0.002","71.87","0.002","1008.56","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cl F N O6 -","- C21 H19 Cl F N O6 -","- C42 H38 Cl2 F2 N2 O12 -","2","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Fluoronitroalkenes in tandem [4 + 1]/[3 + 2]-cycloaddition: one-pot three-component assembly of fluorinated bicyclic nitroso acetals","Organic Chemistry Frontiers","2018","5","17","2588","","10.1039/C8QO00623G","","","0.71073","MoKα","","0.0519","0.0403","","","0.0957","0.1035","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554373","16.4649","0.0014","6.9417","0.0006","15.0372","0.0013","90","","93.483","0.002","90","","1715.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl F N2 O6 -","- C16 H14 Cl F N2 O6 -","- C64 H56 Cl4 F4 N8 O24 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Fluoronitroalkenes in tandem [4 + 1]/[3 + 2]-cycloaddition: one-pot three-component assembly of fluorinated bicyclic nitroso acetals","Organic Chemistry Frontiers","2018","5","17","2588","","10.1039/C8QO00623G","","","0.71073","MoKα","","0.0624","0.0423","","","0.1111","0.1236","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554374","6.812","0.005","11.371","0.008","13.441","0.009","80.287","0.013","84.84","0.013","77.986","0.012","1002.1","1.2","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 N O2 S -","- C23 H31 N O2 S -","- C46 H62 N2 O4 S2 -","2","1","","Han, Yulin; Ma, Shengming","Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes","Organic Chemistry Frontiers","2018","5","18","2680","","10.1039/C8QO00650D","","","0.71073","MoKα","","0.0764","0.055","","","0.1307","0.1388","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554375","10.6868","0.0014","20.2","0.003","8.0112","0.001","90","","101.747","0.003","90","","1693.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Han, Yulin; Ma, Shengming","Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes","Organic Chemistry Frontiers","2018","5","18","2680","","10.1039/C8QO00650D","","","0.71073","MoKα","","0.0611","0.0486","","","0.1232","0.1316","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554376","8.9632","0.001","26.894","0.003","9.2793","0.001","90","","110.151","0.002","90","","2099.9","0.4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","","Han, Yulin; Ma, Shengming","Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes","Organic Chemistry Frontiers","2018","5","18","2680","","10.1039/C8QO00650D","","","0.71073","MoKα","","0.0781","0.0453","","","0.106","0.1227","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554377","11.0672","0.0002","24.0508","0.0005","11.3892","0.0002","90","","91.3083","0.0019","90","","3030.73","0.1","296.31","0.1","296.31","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N O6 -","- C36 H34 N O6 -","- C144 H136 N4 O24 -","4","2","","Yue, Jing-Fei; Ran, Guang-Yao; Yang, Xing-Xing; Du, Wei; Chen, Ying-Chun","Asymmetric Diels–Alder cycloadditions of benzofulvene-based 2,4-dienals via trienamine activation","Organic Chemistry Frontiers","2018","5","18","2676","","10.1039/C8QO00653A","","x-ray","1.54184","CuKα","","0.0565","0.0538","","","0.14","0.145","","","","","","1.02","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554378","10.2146","0.0004","11.7243","0.0005","10.2644","0.0004","90","","119.315","0.002","90","","1071.84","0.08","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C48 H52 N4 O6 -","2","1","","Zhang, Zi-Jing; Song, Jin","An isothiourea-catalyzed asymmetric formal [4 + 2] cycloaddition of in situ generated azoalkenes with C1 ammonium enolates","Organic Chemistry Frontiers","2018","5","17","2578","","10.1039/C8QO00657A","","","1.34139","GaKα","","0.0428","0.0399","","","0.0983","0.101","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554379","10.276","0.0012","12.5669","0.0014","13.0463","0.0013","66.455","0.01","73.203","0.009","66.317","0.011","1397.8","0.3","268","40","268","40","","","","","","","","5","P -1","-P 1","2","","6o","","- C32 H27 N O5 S -","- C32 H27 N O5 S -","- C64 H54 N2 O10 S2 -","2","1","","Zhang, Changyuan; Chen, Lianfen; Chen, Kai; Wang, Chuntao; Xu, Zurong; Jiang, Huanfeng; Zhu, Shifa","Cu(i)-Catalyzed stereoselective synthesis of trisubstituted Z-enol esters via interrupting the 1,3-O-transposition reaction","Organic Chemistry Frontiers","2018","5","16","2510","","10.1039/C8QO00664D","","x-ray","0.71073","MoKα","","0.1099","0.0613","","","0.1333","0.1707","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554380","8.611","0.0012","11.3415","0.0015","28.819","0.004","90","","90","","90","","2814.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Cl N3 O7 -","- C29 H28 Cl N3 O7 -","- C116 H112 Cl4 N12 O28 -","4","1","","Wei, Qinghua; Ma, Xiaochu; Chen, Jianghui; Niu, Li; Yang, Xi; Xia, Fei; Liu, Shunying","A triple-functionalised metal centre-catalyzed enantioselective multicomponent reaction","Organic Chemistry Frontiers","2018","5","19","2799","","10.1039/C8QO00703A","","","0.71073","MoKα","","0.1382","0.0564","","","0.1135","0.1486","","","","","","1.002","","","","has coordinates","237178","2020-10-21","18:00:00",""
"1554381","8.4477","0.0015","11.883","0.002","15.889","0.003","97.79","0.004","90.12","0.004","96.968","0.004","1568.3","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H43 I Mg N2 O -","- C29 H43 I Mg N2 O -","- C58 H86 I2 Mg2 N4 O2 -","2","1","","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","","0.0749","0.0511","","","0.1217","0.1345","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554382","12.5799","0.0011","19.2069","0.0016","20.3357","0.0017","90","","102.473","0.002","90","","4797.6","0.7","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Mg2 N4 -","- C50 H66 Mg2 N4 -","- C200 H264 Mg8 N16 -","4","1","","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","","0.0853","0.0641","","","0.181","0.1988","","","","","","1.024","","","","has coordinates","300101","2025-06-17","17:58:10",""
"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","","","","- C50 H66 Mg2 N4 -","- C50 H66 Mg2 N4 -","- C200 H264 Mg8 N16 -","4","1","","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","300101","2025-06-17","17:58:11",""
"1554384","11.0139","0.0012","11.3202","0.0012","18.565","0.002","75.316","0.003","83.401","0.003","62.905","0.003","1993.3","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H58 Mg N4 -","- C46 H58 Mg N4 -","- C92 H116 Mg2 N8 -","2","1","","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","","0.1505","0.0747","","","0.1632","0.1991","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554385","11.4271","0.0014","17.954","0.002","20.908","0.003","90","","93.495","0.003","90","","4281.6","0.9","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H53 Mg N2 -","- C54 H53 Mg N2 -","- C216 H212 Mg4 N8 -","4","1","","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","","0.0857","0.0559","","","0.1467","0.1664","","","","","","1.023","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554386","21.607","0.002","13.2782","0.0012","14.0261","0.0013","90","","90","","90","","4024.1","0.6","130","2","130","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C48 H49 Cl2 N2 -","- C48 H49 Cl2 N2 -","- C192 H196 Cl8 N8 -","4","0.5","","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","","0.0855","0.0641","","","0.1752","0.1939","","","","","","1.033","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554387","25.689","0.003","11.0511","0.0014","32.698","0.004","90","","105.996","0.003","90","","8923.3","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H55 I Mg N2 O -","- C51 H55 I Mg N2 O -","- C408 H440 I8 Mg8 N16 O8 -","8","1","","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","","0.0857","0.0517","","","0.1234","0.1396","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554388","11.9804","0.0006","15.2444","0.0007","15.0882","0.0007","90","","95.298","0.001","90","","2743.8","0.2","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Cl2 Mg2 N4 -","- C58 H76 Cl2 Mg2 N4 -","- C116 H152 Cl4 Mg4 N8 -","2","0.5","","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","","0.0573","0.0406","","","0.0939","0.1047","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554389","13.2295","0.0008","13.2295","0.0008","19.2267","0.0013","90","","90","","90","","3365.1","0.4","140","2","140","2","","","","","","","","6","P -4","P -4","81","","","","- C68 H96 B2 Mg2 N4 O6 -","- C68 H96 B2 Mg2 N4 O6 -","- C136 H192 B4 Mg4 N8 O12 -","2","0.5","","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","","0.1547","0.0647","","","0.1293","0.1641","","","","","","0.886","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554390","10.58","0.0007","10.4047","0.0007","10.785","0.0007","90","","118.687","0.002","90","","1041.5","0.12","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 B2 O6 -","- C18 H36 B2 O6 -","- C36 H72 B4 O12 -","2","0.5","","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","","0.0877","0.0677","","","0.1435","0.1529","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554391","17.7085","0.0009","33.2898","0.0016","17.0054","0.0009","90","","90","","90","","10024.9","0.9","135","2","135","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H70 Mg2 N4 -","- C52 H70 Mg2 N4 -","- C416 H560 Mg16 N32 -","8","1","","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","","0.1431","0.1024","","","0.1999","0.2137","","","","","","1.236","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1554392","8.5511","0.0003","10.4286","0.0003","14.3935","0.0004","88.875","0.002","87.601","0.002","68.209","0.003","1190.78","0.07","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 Cl N2 O2 -","- C30 H21 Cl N2 O2 -","- C60 H42 Cl2 N4 O4 -","2","1","","Xu, Hui; Chen, Kuan; Liu, Hong-Wei; Wang, Guan-Wu","Solvent-free N-iodosuccinimide-promoted synthesis of spiroimidazolines from alkenes and amidines under ball-milling conditions","Organic Chemistry Frontiers","2018","5","19","2864","","10.1039/C8QO00723C","","","1.54184","CuKα","","0.0501","0.0464","","","0.127","0.1306","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554393","8.1716","0.0004","30.1115","0.0013","10.9853","0.0005","90","","95.159","0.002","90","","2692.1","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl3 F6 N4 P Ru -","- C22 H24 Cl3 F6 N4 P Ru -","- C88 H96 Cl12 F24 N16 P4 Ru4 -","4","1","","Wu, Qiang; Pan, Le; Du, Guangming; Zhang, Chi; Wang, Dawei","Preparation of pyridyltriazole ruthenium complexes as effective catalysts for the selective alkylation and one-pot C‒H hydroxylation of 2-oxindole with alcohols and mechanism exploration","Organic Chemistry Frontiers","2018","5","18","2668","","10.1039/C8QO00725J","","","0.71075","MoKα","","0.049","0.0457","","","0.0973","0.0986","","","","","","1.266","","","","has coordinates,has disorder","237185","2020-10-21","18:00:00",""
"1554394","8.3324","0.0007","18.0049","0.0015","18.9382","0.0019","90","","90","","90","","2841.2","0.4","296.32","0.1","296.32","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C136 H104 F16 N8 O16 -","8","1","","Ma, Xingxing; Deng, Shuilin; Song, Qiuling","Halodifluoroacetates as formylation reagents for various amines via unprecedented quadruple cleavage","Organic Chemistry Frontiers","2018","5","24","3505","","10.1039/C8QO00727F","","x-ray","0.71073","MoKα","","0.0657","0.0445","","","0.1082","0.1237","","","","","","1.0611","","","","has coordinates","237187","2020-10-21","18:00:00",""
"1554395","6.32","0.002","11.047","0.004","16.999","0.006","90.548","0.009","95.825","0.009","90.542","0.009","1180.6","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Liu, Yang; Cerveri, Alessandro; De Nisi, Assunta; Monari, Magda; Nieto Faza, Olalla; Lopez, Carlos Silva; Bandini, Marco","Nickel catalyzed regio- and stereoselective arylation and methylation of allenamides via coupling reactions. An experimental and computational study","Organic Chemistry Frontiers","2018","5","22","3231","","10.1039/C8QO00729B","","","0.71073","MoKα","","0.1543","0.0971","","","0.2356","0.268","","","","","","1.137","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554396","6.9966","0.001","12.0579","0.0017","12.9998","0.0018","63.724","0.003","88.61","0.003","86.344","0.003","981.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl2 N2 Ni O7 -","- C12 H26 Cl2 N2 Ni O7 -","- C24 H52 Cl4 N4 Ni2 O14 -","2","1","","Liu, Yang; Cerveri, Alessandro; De Nisi, Assunta; Monari, Magda; Nieto Faza, Olalla; Lopez, Carlos Silva; Bandini, Marco","Nickel catalyzed regio- and stereoselective arylation and methylation of allenamides via coupling reactions. An experimental and computational study","Organic Chemistry Frontiers","2018","5","22","3231","","10.1039/C8QO00729B","","","0.71073","MoKα","","0.0746","0.0594","","","0.1628","0.1738","","","","","","1.029","","","","has coordinates","237189","2020-10-21","18:00:00",""
"1554397","10.9821","0.0005","9.771","0.0003","21.137","0.0009","90","","119.629","0.003","90","","1971.56","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8,9,11,12-pentamethoxy-1,2,5,13b-tetrahydrodibenzo[c,e]pyrrolo[1,2-a]azepin-3-one","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","","Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V.","Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor–acceptor cyclopropanes","Organic Chemistry Frontiers","2018","5","19","2829","","10.1039/C8QO00742J","","","1.5418","CuKα","","0.0595","0.0486","","","0.1264","0.1338","","","","","","1.004","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554398","7.0556","0.0003","15.3824","0.0005","10.7866","0.0005","90","","108.471","0.003","90","","1110.38","0.08","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(3,4,5-trimethoxybenzyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C46 H58 N2 O14 -","2","1","","Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V.","Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor–acceptor cyclopropanes","Organic Chemistry Frontiers","2018","5","19","2829","","10.1039/C8QO00742J","","","1.54186","CuKα","","0.0433","0.0421","","","0.1117","0.1128","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554399","15.7969","0.0003","8.7827","0.0002","14.6012","0.0004","90","","103.801","0.002","90","","1967.28","0.08","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8,10,11,12-Pentamethoxy-1,2,5,13b-tetrahydrodibenzo[c,e]pyrrolo[1,2-a]azepin-3-one","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","","Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V.","Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor–acceptor cyclopropanes","Organic Chemistry Frontiers","2018","5","19","2829","","10.1039/C8QO00742J","","","1.5418","CuKα","","0.0475","0.0414","","","0.1116","0.1156","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554400","9.516","0.003","11.551","0.006","13.616","0.007","91.24","0.04","106.05","0.04","99.94","0.03","1412.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,6-dioxophenanthriporphyrin","","- C43 H26 N2 O2 -","- C43 H26 N2 O2 -","- C86 H52 N4 O4 -","2","1","","Kupietz, Kamil; Białek, Michał J.; Białońska, Agata; Szyszko, Bartosz; Latos-Grażyński, Lechosław","Aromaticity control via modifications of a macrocyclic frame: 5,6-dimethoxyphenanthriporphyrin and 5,6-dioxophenanthriporphyrin","Organic Chemistry Frontiers","2018","5","21","3068","","10.1039/C8QO00751A","","","1.54184","CuKα","","0.3027","0.1221","","","0.2214","0.3452","","","","","","0.895","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554401","14.154","0.003","17.553","0.003","19.832","0.003","90","","106.78","0.03","90","","4717.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","monocation of 5,6-dioxophenanthriporphyrin","","- C61 H45 B F4 N2 O2 -","- C61 H45 B F4 N2 O2 -","- C244 H180 B4 F16 N8 O8 -","4","1","","Kupietz, Kamil; Białek, Michał J.; Białońska, Agata; Szyszko, Bartosz; Latos-Grażyński, Lechosław","Aromaticity control via modifications of a macrocyclic frame: 5,6-dimethoxyphenanthriporphyrin and 5,6-dioxophenanthriporphyrin","Organic Chemistry Frontiers","2018","5","21","3068","","10.1039/C8QO00751A","","","1.54175","CuKα","","0.0708","0.0564","","","0.1492","0.16","","","","","","0.947","","","","has coordinates","237194","2020-10-21","18:00:00",""
"1554402","8.09","0.002","12.074","0.003","24.254","0.003","82.58","0.02","89.11","0.02","70.85","0.03","2218.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H54 B8 F22 N4 O7 -","- C86 H54 B8 F22 N4 O7 -","- C86 H54 B8 F22 N4 O7 -","1","0.5","","Kupietz, Kamil; Białek, Michał J.; Białońska, Agata; Szyszko, Bartosz; Latos-Grażyński, Lechosław","Aromaticity control via modifications of a macrocyclic frame: 5,6-dimethoxyphenanthriporphyrin and 5,6-dioxophenanthriporphyrin","Organic Chemistry Frontiers","2018","5","21","3068","","10.1039/C8QO00751A","","","1.54175","CuKα","","0.2001","0.081","","","0.1883","0.2196","","","","","","0.664","","","","has coordinates,has disorder","237194","2020-10-21","18:00:00",""
"1554404","12.2892","0.0006","11.6999","0.0005","19.3795","0.0009","90","","103.521","0.005","90","","2709.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","zwm-132","","- C29 H37 N O7 -","- C29 H37 N O7 -","- C116 H148 N4 O28 -","4","2","","Fan, Yaqin; Wang, Yi; Fu, Peng; Chairoungdua, Arthit; Piyachaturawat, Pawinee; Zhu, Weiming","Secopaxilline A, an indole-diterpenoid derivative from an aciduric Penicillium fungus, its identification and semisynthesis","Organic Chemistry Frontiers","2018","5","19","2835","","10.1039/C8QO00756J","","","1.54178","CuKα","","0.0676","0.0491","","","0.1065","0.1205","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554405","9.5523","0.0004","9.8572","0.0003","23.9209","0.0009","90","","99.141","0.004","90","","2223.76","0.14","296.83","0.1","296.83","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Zhao, Yinsong; Zheng, Qinze; Yu, Chuangui; Liu, Zheng; Wang, Deping; You, Jingsong; Gao, Ge","Rh(iii)-Catalyzed regioselective C–H [4 + 2] C-annulation of vinyl enaminones with alkynes to form polysubstituted salicylaldehydes","Organic Chemistry Frontiers","2018","5","19","2875","","10.1039/C8QO00759D","","x-ray","1.54184","CuKα","","0.0773","0.0673","","","0.2147","0.2311","","","","","","1.124","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554406","13.248","0.002","7.6262","0.0012","27.213","0.004","90","","97.298","0.003","90","","2727.1","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 Br N2 O3 -","- C30 H31 Br N2 O3 -","- C120 H124 Br4 N8 O12 -","4","2","","Yuan, Yang; Zheng, Zhan-Jiang; Ye, Fei; Ma, Jun-Han; Xu, Zheng; Bai, Xing-Feng; Li, Li; Xu, Li-Wen","Highly efficient desymmetrization of cyclopropenes to azabicyclo[3.1.0]hexanes with five continuous stereogenic centers by copper-catalyzed [3 + 2] cycloadditions","Organic Chemistry Frontiers","2018","5","18","2759","","10.1039/C8QO00761F","","","0.71073","MoKα","","0.1405","0.0694","","","0.179","0.2167","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554407","7.3005","0.0004","12.1224","0.0005","11.9121","0.0006","90","","105.259","0.006","90","","1017.05","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Zhang, Xun; Li, Zhongle; Yong, Huaya; Xie, Zhixiang","Biomimetic syntheses of C23 terpenoids: structural revision of salyunnanin A and confirmation of hassanane","Organic Chemistry Frontiers","2018","5","23","3469","","10.1039/C8QO00772A","","","1.54184","CuKα","","0.0514","0.0506","","","0.1379","0.1395","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554408","7.5983","0.0003","16.424","0.0007","20.8458","0.0008","90","","90","","90","","2601.44","0.18","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 5-(5-bromo-2-hydroxybenzoyl) nicotinate","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C112 H80 Br8 N8 O32 -","8","1","","Maezono, Shizuka Mei Bautista; Kim, Sung Hong; Lee, Yong Rok","Copper-catalyzed [3 + 2 + 1] annulation for functionalized pyridines as potent and dynamic UV absorbers","Organic Chemistry Frontiers","2018","5","23","3368","","10.1039/C8QO00782A","","","0.71073","MoKα","","0.0345","0.0252","","","0.0607","0.0658","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554409","9.0575","0.0017","12.288","0.002","12.993","0.003","90","","94.793","0.002","90","","1441","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Yang, Binmiao; Zhai, Xuejie; Feng, Shubo; Shao, Zhihui","Dearomatization of naphthols using oxy-allyl cations: efficient construction of α-all-carbon quaternary center-containing 2-(2-oxocycloalkyl)cycloalkyl diketones","Organic Chemistry Frontiers","2018","5","19","2794","","10.1039/C8QO00783G","","","0.71073","MoKα","","0.0735","0.0518","","","0.1412","0.155","","","","","","1.095","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554410","17.135","0.003","17.343","0.003","20.802","0.003","106.696","0.004","98.131","0.004","118.106","0.003","4934.7","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl N5 O8 -","- C44 H42 Cl N5 O8 -","- C176 H168 Cl4 N20 O32 -","4","2","","Yang, Wen-Juan; Sun, Qiu; Sun, Jing; Yan, Chao-Guo","Domino aza/oxa-hetero-Diels–Alder reaction for construction of novel spiro[pyrido[3′,2′:5,6]pyrano[2,3-d]pyrimidine-7,5′-pyrimidine]","Organic Chemistry Frontiers","2018","5","18","2754","","10.1039/C8QO00784E","","","0.71073","MoKα","","0.1882","0.0908","","","0.2191","0.2653","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554411","12.086","0.003","12.455","0.003","17.13","0.004","96.558","0.009","109.996","0.008","107.812","0.009","2236.9","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Cl N5 O6 -","- C42 H38 Cl N5 O6 -","- C84 H76 Cl2 N10 O12 -","2","1","","Yang, Wen-Juan; Sun, Qiu; Sun, Jing; Yan, Chao-Guo","Domino aza/oxa-hetero-Diels–Alder reaction for construction of novel spiro[pyrido[3′,2′:5,6]pyrano[2,3-d]pyrimidine-7,5′-pyrimidine]","Organic Chemistry Frontiers","2018","5","18","2754","","10.1039/C8QO00784E","","","0.71073","MoKα","","0.2438","0.1197","","","0.2511","0.3034","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554412","9.7638","0.0005","10.0633","0.0005","10.6246","0.0005","100.341","0.004","103.17","0.004","95.285","0.004","990.28","0.09","122.98","0.13","122.98","0.13","","","","","","","","2","P -1","-P 1","2","tetraarylethene","tetraarylethene","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","1","","Chuskit, Deachen; Chaudhary, Renu; Venugopalan, Paloth; König, Burkhard; Natarajan, Palani","Oxidative homodimerization of substituted olefins by DDQ visible light photocatalysis","Organic Chemistry Frontiers","2018","5","24","3553","","10.1039/C8QO00792F","","x-ray","1.54184","CuKα","","0.0434","0.0358","","","0.0881","0.0934","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554413","10","0.002","14.827","0.003","13.344","0.003","90","","101.939","0.003","90","","1935.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O7 S -","- C18 H25 N O7 S -","- C72 H100 N4 O28 S4 -","4","1","","Lei, Meng; Li, Yanjun; Cao, Shi; Hou, Xinyi; Gong, Lei","Alkylation–peroxidation of α-carbonyl imines or ketones catalyzed by a copper salt via radical-mediated Csp3–H functionalization","Organic Chemistry Frontiers","2018","5","21","3083","","10.1039/C8QO00797G","","","0.71073","MoKα","","0.0888","0.0813","","","0.2211","0.2292","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554414","12.1127","0.001","13.1333","0.0012","13.1505","0.0011","76.939","0.007","79.228","0.007","63.194","0.009","1810.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","7-endo","","- C19 H24 F3 N O2 -","- C19 H24 F3 N O2 -","- C76 H96 F12 N4 O8 -","4","2","","Long, Hao; Song, Jinshuai; Xu, Hai-Chao","Electrochemical synthesis of 7-membered carbocycles through cascade 5-exo-trig/7-endo-trig radical cyclization","Organic Chemistry Frontiers","2018","5","21","3129","","10.1039/C8QO00803E","","x-ray","1.54184","CuKα","","0.0851","0.0762","","","0.2009","0.2149","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554415","8.6306","0.0004","10.9636","0.0006","14.5139","0.0007","90","","90.644","0.002","90","","1373.25","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O4 S -","- C30 H29 N3 O4 S -","- C60 H58 N6 O8 S2 -","2","1","","Huang, Qiuhong; Cheng, Yuyu; Yuan, Huijun; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective Mannich-type addition of 5H-thiazol-4-ones to isatin-derived imines: access to 3-substituted 3-amino-2-oxindoles featured by vicinal sulfur-containing tetrasubstituted stereocenters","Organic Chemistry Frontiers","2018","5","22","3226","","10.1039/C8QO00814K","","x-ray","0.71073","MoKα","","0.0375","0.0331","","","0.0767","0.0786","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554416","18.2546","0.0006","9.1982","0.0003","13.3199","0.0004","90","","108.231","0.001","90","","2124.27","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Qiu, Shaobing; Guo, Chunlei; Wang, Mingkang; Sun, Zhenglong; Li, Hui; Qian, Xuhong; Yang, Youjun","Mild dealkylative N-nitrosation of N,N-dialkylaniline derivatives for convenient preparation of photo-triggered and photo-calibrated NO donors","Organic Chemistry Frontiers","2018","5","22","3206","","10.1039/C8QO00818C","","","0.71073","MoKα","","0.0736","0.0494","","","0.1184","0.1352","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554417","11.2278","0.0005","13.7389","0.0006","7.4364","0.0003","90","","107.173","0.001","90","","1095.98","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Qiu, Shaobing; Guo, Chunlei; Wang, Mingkang; Sun, Zhenglong; Li, Hui; Qian, Xuhong; Yang, Youjun","Mild dealkylative N-nitrosation of N,N-dialkylaniline derivatives for convenient preparation of photo-triggered and photo-calibrated NO donors","Organic Chemistry Frontiers","2018","5","22","3206","","10.1039/C8QO00818C","","","0.71073","MoKα","","0.05","0.0387","","","0.0914","0.0998","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554418","13.145","0.0005","14.0218","0.0006","12.9264","0.0005","90","","114.416","0.001","90","","2169.47","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O5 -","- C24 H20 N4 O5 -","- C96 H80 N16 O20 -","4","1","","Qiu, Shaobing; Guo, Chunlei; Wang, Mingkang; Sun, Zhenglong; Li, Hui; Qian, Xuhong; Yang, Youjun","Mild dealkylative N-nitrosation of N,N-dialkylaniline derivatives for convenient preparation of photo-triggered and photo-calibrated NO donors","Organic Chemistry Frontiers","2018","5","22","3206","","10.1039/C8QO00818C","","","0.71073","MoKα","","0.0592","0.0411","","","0.0889","0.1004","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554421","5.628","0.002","19.385","0.004","17.569","0.004","90","0.03","91.36","0.03","90","0.03","1916.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C96 H76 Cl4 N8 O4 -","4","1","","Tong, Mengchao; Zhang, Yong; Qin, Cong; Fu, Yiwei; Liu, Yonghai; Li, Hao; Wang, Wei","Alkenylazaarenes as dipolarophiles in 1,3-dipolar cycloaddition of nitrones: regioselectivity-switchable and highly diastereoselective synthesis of multisubstituted isoxazolidines","Organic Chemistry Frontiers","2018","5","20","2945","","10.1039/C8QO00826D","","","1.54178","CuKα","","0.0357","0.03","","","0.0779","0.0819","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554422","5.7976","0.0009","9.4263","0.0014","17.097","0.003","87.715","0.003","87.737","0.003","86.465","0.003","931.2","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C48 H38 Cl2 N4 O2 -","2","1","","Tong, Mengchao; Zhang, Yong; Qin, Cong; Fu, Yiwei; Liu, Yonghai; Li, Hao; Wang, Wei","Alkenylazaarenes as dipolarophiles in 1,3-dipolar cycloaddition of nitrones: regioselectivity-switchable and highly diastereoselective synthesis of multisubstituted isoxazolidines","Organic Chemistry Frontiers","2018","5","20","2945","","10.1039/C8QO00826D","","","0.71073","MoKα","","0.1002","0.0533","","","0.107","0.1273","","","","","","1.005","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554423","6.229","0.0001","13.6065","0.0002","14.6177","0.0003","90","","90","","90","","1238.92","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H0.25 N O -","- C17 H11 N O -","- C68 H44 N4 O4 -","4","1","","Xu, Xin-Ming; Lei, Chuan-Hu; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Lewis acid catalyst-steered divergent synthesis of functionalized vicinal amino alcohols and pyrroles from tertiary enamides","Organic Chemistry Frontiers","2018","5","21","3138","","10.1039/C8QO00839F","","","1.54184","CuKα","","0.0369","0.0343","","","0.0834","0.0862","","","","","","1.11","","","","has coordinates","237224","2020-10-21","18:00:00",""
"1554424","13.42","0.002","5.3749","0.0008","17.821","0.003","90","","105.381","0.005","90","","1239.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 F N2 O5 S -","- C27 H25 F N2 O5 S -","- C54 H50 F2 N4 O10 S2 -","2","1","","Cao, Zhong-Yan; Wang, Wenmin; Liao, Kui; Wang, Xiaoming; Zhou, Jian; Ma, Jing","Catalytic enantioselective synthesis of cyclopropanes featuring vicinal all-carbon quaternary stereocenters with a CH2F group; study of the influence of C–F⋯H–N interactions on reactivity","Organic Chemistry Frontiers","2018","5","20","2960","","10.1039/C8QO00842F","","","0.71073","MoKα","","0.1349","0.0661","","","0.1551","0.1967","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554425","6.6841","0.0006","8.7074","0.0008","14.4482","0.0013","87.391","0.003","81.591","0.002","78.532","0.003","815.14","0.13","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 Br F O2 -","- C18 H16 Br F O2 -","- C36 H32 Br2 F2 O4 -","2","2","","Cao, Zhong-Yan; Wang, Wenmin; Liao, Kui; Wang, Xiaoming; Zhou, Jian; Ma, Jing","Catalytic enantioselective synthesis of cyclopropanes featuring vicinal all-carbon quaternary stereocenters with a CH2F group; study of the influence of C–F⋯H–N interactions on reactivity","Organic Chemistry Frontiers","2018","5","20","2960","","10.1039/C8QO00842F","","","0.71073","MoKα","","0.0577","0.0518","","","0.1409","0.1463","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554426","10.0137","0.0006","10.3706","0.0006","11.987","0.0007","90","","109.801","0.002","90","","1171.23","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","2","","Kim, Simon J.; Batey, Robert A.","Enantioselective isoquinuclidine synthesis via sequential Diels–Alder/visible-light photoredox C–C bond cleavage: a formal synthesis of the indole alkaloid catharanthine","Organic Chemistry Frontiers","2018","5","20","2934","","10.1039/C8QO00849C","","","1.54178","CuKα","","0.0278","0.0276","","","0.0695","0.0697","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554427","7.6019","0.0006","7.7795","0.0007","17.7908","0.0015","94.036","0.005","92.577","0.005","114.867","0.004","948.98","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Organic Compound","","","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","1","0.5","","Ozdemir, Resul; Park, Sangyun; Deneme, İbrahim; Park, Yonghan; Zorlu, Yunus; Alidagi, Husniye Ardic; Harmandar, Kevser; Kim, Choongik; Usta, Hakan","Triisopropylsilylethynyl-substituted indenofluorenes: carbonyl versus dicyanovinylene functionalization in one-dimensional molecular crystals and solution-processed n-channel OFETs","Organic Chemistry Frontiers","2018","5","20","2912","","10.1039/C8QO00856F","","","0.71073","MoKα","","0.0982","0.086","","","0.2596","0.2746","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554428","39.755","0.005","10.0294","0.0012","11.4351","0.0014","90","","102.874","0.008","90","","4444.8","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Organic Compound","","","- C48 H50 N4 Si2 -","- C48 H50 N4 Si2 -","- C192 H200 N16 Si8 -","4","0.5","","Ozdemir, Resul; Park, Sangyun; Deneme, İbrahim; Park, Yonghan; Zorlu, Yunus; Alidagi, Husniye Ardic; Harmandar, Kevser; Kim, Choongik; Usta, Hakan","Triisopropylsilylethynyl-substituted indenofluorenes: carbonyl versus dicyanovinylene functionalization in one-dimensional molecular crystals and solution-processed n-channel OFETs","Organic Chemistry Frontiers","2018","5","20","2912","","10.1039/C8QO00856F","","","0.71073","MoKα","","0.202","0.1097","","","0.3031","0.373","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554429","17.45405","0.00014","8.11896","0.00007","19.929","0.00015","90","","91.5647","0.0007","90","","2823.06","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 N O6 -","- C33 H35 N O6 -","- C132 H140 N4 O24 -","4","1","","Yi, Xiao; Tang, Hongxia; Chen, Jing; Xu, Xiuling; Ma, Yongmin","Facile one-pot synthesis of a 3-azabicyclo[3.3.1]nonane scaffold by a tandem Mannich reaction","Organic Chemistry Frontiers","2018","5","20","3003","","10.1039/C8QO00870A","","","1.54184","CuKα","","0.042","0.0402","","0.1087","0.1047","0.101","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554430","11.083","0.007","21.629","0.013","12.241","0.007","90","","116.92","","90","","2616","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl3 N O3 -","- C30 H26 Cl3 N O3 -","- C120 H104 Cl12 N4 O12 -","4","1","","Yi, Xiao; Tang, Hongxia; Chen, Jing; Xu, Xiuling; Ma, Yongmin","Facile one-pot synthesis of a 3-azabicyclo[3.3.1]nonane scaffold by a tandem Mannich reaction","Organic Chemistry Frontiers","2018","5","20","3003","","10.1039/C8QO00870A","","","0.71073","MoKα","","0.1545","0.0998","","","0.2507","0.2824","","","","","","0.952","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554431","8.7333","0.001","32.515","0.005","11.3552","0.0017","90","","92.555","0.004","90","","3221.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-(1-(2-cyclopropyl-3-tosylprop-1-en-1-yl)-2-(4-methoxyphenyl)-2-methylcyclopropyl)diphenylphosphine oxide","","- C36 H37 O4 P S -","- C36 H37 O4 P S -","- C144 H148 O16 P4 S4 -","4","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N–S bond: tosyl radical-initiated cascade C(sp3)–OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.1292","0.0566","","","0.1176","0.1417","","","","","","1.015","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554432","10.244","0.0003","13.1272","0.0005","15.4443","0.0005","85.216","0.001","77.319","0.001","69.981","0.001","1903.71","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-(1-(2-([1,1'-biphenyl]-4-yl)-3-tosylprop-1-en-1-yl)-2-(4-methoxyphenyl)-2-methylcyclopropyl)diphenylphosphine oxide","","- C45 H41 O4 P S -","- C45 H41 O4 P S -","- C90 H82 O8 P2 S2 -","2","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N–S bond: tosyl radical-initiated cascade C(sp3)–OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.0945","0.0539","","","0.1232","0.1402","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554433","10.9576","0.0005","24.0001","0.0011","13.0509","0.0006","90","","94.036","0.002","90","","3423.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-(2,2-dibenzyl-1-(2-methyl-3-tosylprop-1-en-1-yl)cyclopropyl)diphenylphosphine oxide","","- C40 H39 O3 P S -","- C40 H39 O3 P S -","- C160 H156 O12 P4 S4 -","4","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N–S bond: tosyl radical-initiated cascade C(sp3)–OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.0969","0.0501","","","0.1136","0.1315","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554434","12.3705","0.0006","13.8788","0.0008","19.1238","0.001","90","","106.702","0.001","90","","3144.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-(2-methyl-1-(2-methyl-3-tosylprop-1-en-1-yl)-2-(naphthalen-2-yl)cyclopropyl)diphenylphosphine oxide","","- C37 H35 O3 P S -","- C37 H35 O3 P S -","- C148 H140 O12 P4 S4 -","4","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N–S bond: tosyl radical-initiated cascade C(sp3)–OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.0729","0.0464","","","0.1122","0.1237","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554435","22.09","0.006","8.574","0.002","9.447","0.003","90","","101.6","0.02","90","","1752.7","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C88 H96 N8 -","4","1","","Liu, Siyuan; Zhang, Wenzhu; Qu, Jingping; Wang, Baomin","Engaging 2-methyl indolenines in a tandem condensation/1,5-hydride transfer/cyclization process: construction of a novel indolenine–tetrahydroquinoline assembly","Organic Chemistry Frontiers","2018","5","20","3008","","10.1039/C8QO00875B","","","0.71073","MoKα","","0.0935","0.0493","","","0.1018","0.119","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554436","8.8385","0.0005","14.3341","0.0009","17.8495","0.0011","90","","90","","90","","2261.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N O7 P S -","- C21 H21 Br N O7 P S -","- C84 H84 Br4 N4 O28 P4 S4 -","4","1","","Sun, Jun; Mou, Chengli; Liu, Changyi; Huang, Ruoyan; Zhang, Shupeng; Zheng, Pengcheng; Chi, Yonggui Robin","Enantioselective access to multi-cyclic α-amino phosphonates via carbene-catalyzed cycloaddition reactions between enals and six-membered cyclic imines","Organic Chemistry Frontiers","2018","5","20","2992","","10.1039/C8QO00877A","","","0.71073","MoKα","","0.0765","0.0451","","","0.0859","0.0981","","","","","","0.948","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554441","9.0319","0.0004","18.9034","0.0009","14.4632","0.0007","90","","96.64","0.002","90","","2452.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Co P S -","- C28 H29 Co P S -","- C112 H116 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","","","0.71","MoKα","","0.0352","0.0285","","","0.0704","0.074","","","","","","1.042","","","","has coordinates","237239","2020-10-21","18:00:00",""
"1554442","12.766","0.0003","7.3952","0.0002","18.2702","0.0004","90","","103.067","0.002","90","","1680.17","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N O2 -","- C22 H18 N O2 -","- C88 H72 N4 O8 -","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","1.54184","CuKα","","0.0807","0.0707","","","0.1844","0.1974","","","","","","1.187","","","","has coordinates,has disorder","237239","2020-10-21","18:00:00",""
"1554443","7.3192","0.0006","11.4476","0.0007","14.2878","0.0011","109.541","0.006","103.435","0.007","90.85","0.006","1091.7","0.15","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","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","1.54184","CuKα","","0.0655","0.0504","","","0.1343","0.1468","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554444","7.4718","0.0009","10.17","0.0013","13.6849","0.0015","80.313","0.01","76.092","0.01","74.405","0.011","966.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","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","","","0.71073","MoKα","","0.0706","0.0523","","","0.1325","0.1454","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:31",""
"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",""
"1554448","26.357","0.0008","7.5712","0.0003","24.9141","0.0008","90","","92.458","0.003","90","","4967.1","0.3","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C28 H33 Br O3 -","- C28 H33 Br O3 -","- C224 H264 Br8 O24 -","8","2","","Liu, Lin; Song, Huayue; Chen, Peng; Yuan, Ziyun; Feng, Shangbiao; Zhang, Weiwei; Fang, Bowen; Xie, Xingang; She, Xuegong","Total synthesis of (−)-8-epi-chromazonarol enabled by a unique N2H4·H2O promoted intramolecular oxa-Michael cyclization reaction","Organic Chemistry Frontiers","2018","5","20","3013","","10.1039/C8QO00901E","","","1.54184","CuKα","","0.0497","0.0468","","","0.1352","0.1402","","","","","","0.974","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554451","12.1152","0.0014","14.1577","0.0018","24.768","0.003","90","","93.519","0.002","90","","4240.3","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C208 H184 N8 O16 S8 -","8","2","","Zhang, Jia-hao; Wei, Yin; Shi, Min","Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes","Organic Chemistry Frontiers","2018","5","20","2980","","10.1039/C8QO00907D","","","0.71073","MoKα","","0.0513","0.0373","","","0.0883","0.0965","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554452","10.875","0.012","11.83","0.014","16.54","0.02","90","","98.8","0.02","90","","2103","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C104 H92 N4 O8 S4 -","4","1","","Zhang, Jia-hao; Wei, Yin; Shi, Min","Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes","Organic Chemistry Frontiers","2018","5","20","2980","","10.1039/C8QO00907D","","","0.71073","MoKα","","0.0859","0.043","","","0.1015","0.1208","","","","","","1.009","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554453","20.5631","0.0007","27.2351","0.0011","9.3277","0.0003","90","","92.088","0.001","90","","5220.4","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C208 H184 N8 O32 S8 -","8","1","","Zhang, Jia-hao; Wei, Yin; Shi, Min","Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes","Organic Chemistry Frontiers","2018","5","20","2980","","10.1039/C8QO00907D","","","0.71073","MoKα","","0.0932","0.0673","","","0.2068","0.2299","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554454","15.787","0.009","10.811","0.006","13.977","0.008","90","","112.816","0.007","90","","2199","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-phenylenedioxa-5-phenyl-3,3,7,7-tetrakis(trifluoromethyl)-1-phospha-2,6,8-trioxabicyclo[4.3.2(1,5)]octane","","- C20 H11 F12 O5 P -","- C20 H11 F12 O5 P -","- C80 H44 F48 O20 P4 -","4","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels–Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.0611","0.0444","","","0.1116","0.1226","","","","","","1.028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554455","7.266","0.003","11.409","0.005","8.573","0.004","90","","96.695","0.006","90","","705.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","triethylammonium oxabenzo-1,3,2-dioxaphosphol-2-oate","","- C12 H20 N O4 P -","- C12 H20 N O4 P -","- C24 H40 N2 O8 P2 -","2","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels–Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.0589","0.0429","","","0.0846","0.0915","","","","","","1.038","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554456","4.6005","0.0004","10.122","0.0008","16.4334","0.0014","90","","90","","90","","765.24","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxyphenyl phosphoric acid","","- C6 H7 O5 P -","- C6 H7 O5 P -","- C24 H28 O20 P4 -","4","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels–Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.044","0.0387","","","0.0831","0.0859","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554457","10.7892","0.0006","11.1562","0.0006","11.7122","0.0006","101.788","0.003","99.647","0.003","106.558","0.003","1283.93","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1- phenylenedioxa-5-phenyl-3,7-bis(ethoxycarbonyl)-3,7-bis(trifluoromethyl)-1-phospha-2,6,8-trioxabicyclo[4.3.2(1,5)]octane","","- C24 H21 F6 O9 P -","- C24 H21 F6 O9 P -","- C48 H42 F12 O18 P2 -","2","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels–Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.0813","0.0442","","","0.1057","0.1222","","","","","","1.027","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554458","27.972","0.006","27.972","0.006","11.844","0.003","90","","90","","90","","9267","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1,1-phenylenedioxa-5-phenyl-3,7-bis(trichloromethyl)-1-phospha-2,6,8-trioxabicyclo[4.3.2(1,5)]octane","","- C18 H13 Cl6 O5 P -","- C18 H13 Cl6 O5 P -","- C288 H208 Cl96 O80 P16 -","16","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels–Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.05","0.0399","","","0.0929","0.099","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554459","8.8009","0.0008","12.3786","0.0018","16.3465","0.0019","102.889","0.012","95.068","0.009","108.26","0.011","1624.3","0.4","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N O2 S -","- C40 H40 N O2 S -","- C80 H80 N2 O4 S2 -","2","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.1733","0.1048","","","0.2799","0.3361","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554460","7.1299","0.0011","14.678","0.0013","17.037","0.002","74.911","0.009","81.895","0.013","89.178","0.01","1703.8","0.4","102","4","102","4","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N O2 S -","- C44 H42 N O2 S -","- C88 H84 N2 O4 S2 -","2","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.2244","0.0946","","","0.2156","0.2882","","","","","","0.948","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554461","13.5245","0.0006","24.687","0.003","20.6534","0.0009","90","","102.064","0.004","90","","6743.4","0.9","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N2 O4 S4 -","- C84 H80 N2 O4 S4 -","- C336 H320 N8 O16 S16 -","4","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.21","0.1447","","","0.3854","0.4192","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554462","14.3142","0.001","16.7266","0.0012","18.5616","0.0011","105.723","0.006","109.469","0.006","90.336","0.006","4010.6","0.5","99.98","0.17","99.98","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C92 H81 N2 O4 S4 -","- C92 H81 N2 O4 S4 -","- C184 H162 N4 O8 S8 -","2","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.2041","0.1084","","","0.318","0.3849","","","","","","1.051","","","","has coordinates","237251","2020-10-21","18:00:00",""
"1554467","9.7218","0.0008","7.7915","0.0006","24.097","0.002","90","","99.734","0.008","90","","1799","0.3","155.9","","155.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O6 S -","- C19 H16 N2 O6 S -","- C76 H64 N8 O24 S4 -","4","1","","Shen, Yangyong; Wang, Chaorong; Chen, Wei; Cui, Sunliang","Cascade reaction involving Diels–Alder cascade: modular synthesis of amino α-pyrones, indolines and anilines","Organic Chemistry Frontiers","2018","5","24","3574","","10.1039/C8QO00939B","","","0.71073","MoKα","","0.0666","0.0484","","","0.1183","0.1359","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554468","6.4452","0.0007","11.7323","0.0011","12.5163","0.0012","105.865","0.008","90.612","0.008","93.872","0.008","907.9","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C40 H38 N2 O8 S2 -","2","1","","Shen, Yangyong; Wang, Chaorong; Chen, Wei; Cui, Sunliang","Cascade reaction involving Diels–Alder cascade: modular synthesis of amino α-pyrones, indolines and anilines","Organic Chemistry Frontiers","2018","5","24","3574","","10.1039/C8QO00939B","","","0.71073","MoKα","","0.0762","0.0508","","","0.1158","0.1339","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554469","10.2302","0.0008","24.9417","0.0018","10.532","0.0007","90","","94.66","0.006","90","","2678.4","0.3","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl N O2 S -","- C33 H26 Cl N O2 S -","- C132 H104 Cl4 N4 O8 S4 -","4","1","","Shen, Yangyong; Wang, Chaorong; Chen, Wei; Cui, Sunliang","Cascade reaction involving Diels–Alder cascade: modular synthesis of amino α-pyrones, indolines and anilines","Organic Chemistry Frontiers","2018","5","24","3574","","10.1039/C8QO00939B","","","0.71073","MoKα","","0.0692","0.0439","","","0.0958","0.1088","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554470","9.9349","0.0009","5.4755","0.0005","25.351","0.003","90","","101.162","0.01","90","","1353","0.2","292.9","0.8","292.9","0.8","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C26 H30 N4 O9 -","- C26 H30 N4 O9 -","- C52 H60 N8 O18 -","2","0.5","","Chen, Jinhong; Li, Junfang; Zhu, Longqing; Peng, Xue; Feng, Yiyue; Lu, Yingmei; Hu, Xiaoling; Liang, Jianpin; Zhao, Quanyi; Wang, Zhen","Total synthesis and structure revision of chrysamide B","Organic Chemistry Frontiers","2018","5","23","3402","","10.1039/C8QO00949J","","x-ray","0.71073","MoKα","","0.0558","0.0439","","","0.0971","0.1064","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554471","11.6963","0.0014","8.9597","0.0008","23.096","0.002","90","","90.67","0.001","90","","2420.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","","Xiong, Yan-Jie; Shi, Shao-Qing; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","A new dehydrogenative [4 + 1] annulation between para-quinone methides (p-QMs) and iodonium ylides for the synthesis of 2,3-dihydrobenzofurans","Organic Chemistry Frontiers","2018","5","23","3483","","10.1039/C8QO00950C","","","1.54178","CuKα","","0.119","0.0723","","","0.1786","0.2119","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554472","10.805","0.0008","11.7571","0.0009","12.8689","0.0011","106.048","0.002","95.01","0.001","114.103","0.003","1396.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cl I N2 O5 -","- C27 H28 Cl I N2 O5 -","- C54 H56 Cl2 I2 N4 O10 -","2","1","","Xiong, Yan-Jie; Shi, Shao-Qing; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","A new dehydrogenative [4 + 1] annulation between para-quinone methides (p-QMs) and iodonium ylides for the synthesis of 2,3-dihydrobenzofurans","Organic Chemistry Frontiers","2018","5","23","3483","","10.1039/C8QO00950C","","","0.71073","MoKα","","0.0829","0.0495","","","0.1228","0.1373","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554473","8.4088","0.0005","17.398","0.0011","12.1982","0.0008","90","","101.318","0.001","90","","1749.85","0.19","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(3-methyl-1-phenyl-1H-pyrazol-2-ium-4-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C14 H12 F6 N2 O4 S2 -","- C14 H12 F6 N2 O4 S2 -","- C56 H48 F24 N8 O16 S8 -","4","1","","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","","0.0469","0.0381","","","0.0886","0.0948","","","","","","1.032","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554474","12.6441","0.0009","11.3643","0.0008","16.2034","0.0011","90","","111.751","0.001","90","","2162.5","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2,2-bis((trifluoromethyl)sulfonyl)ethyl)-1-(phenylethynyl)-1,5,6,7-tetrahydro-4H-indol-4-one","","- C20 H15 F6 N O5 S2 -","- C20 H15 F6 N O5 S2 -","- C80 H60 F24 N4 O20 S8 -","4","1","","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","","0.0363","0.0308","","","0.0755","0.0789","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554475","13.0371","0.0009","14.5605","0.001","14.0643","0.001","90","","113.617","0.001","90","","2446.2","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2,4-diphenyloxazol-3-ium-5-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C21 H19 F6 N O6 S3 -","- C21 H19 F6 N O6 S3 -","- C84 H76 F24 N4 O24 S12 -","4","1","","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","","0.0493","0.041","","","0.0957","0.1007","","","","","","1.042","","","","has coordinates,has disorder","237261","2020-10-21","18:00:00",""
"1554476","31.442","0.002","7.7594","0.0005","16.3435","0.0011","90","","91.74","0.001","90","","3985.5","0.4","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-(1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-2-ium-4-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C14 H11 Cl F6 N2 O5 S2 -","- C14 H11 Cl F6 N2 O5 S2 -","- C112 H88 Cl8 F48 N16 O40 S16 -","8","1","","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","","0.0329","0.029","","","0.0722","0.0748","","","","","","1.03","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554477","5.7308","0.0005","13.6484","0.0013","21.184","0.002","90","","95.748","0.001","90","","1648.6","0.3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2,2-Bis((trifluoromethyl)sulfonyl)ethyl)-4-hydroxy-2H-chromen-2-one","","- C13 H8 F6 O7 S2 -","- C13 H8 F6 O7 S2 -","- C52 H32 F24 O28 S8 -","4","1","","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","","0.0334","0.0292","","","0.071","0.0735","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554478","14.266","0.002","6.0883","0.0009","18.922","0.003","90","","94.123","0.002","90","","1639.2","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(1-phenyl-1H-pyrazol-2-ium-2-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C13 H10 F6 N2 O4 S2 -","- C13 H10 F6 N2 O4 S2 -","- C52 H40 F24 N8 O16 S8 -","4","1","","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","","0.0461","0.0361","","","0.0846","0.0903","","","","","","1.029","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554479","17.2641","0.001","14.8304","0.0008","23.9088","0.0014","90","","90","","90","","6121.5","0.6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(5-hydroxy-1,3-dimethyl-1H-pyrazol-2-ium-4-yl)- 1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C144 H160 F96 N32 O80 S32 -","16","2","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0451","0.0373","","","0.0889","0.0929","","","","","","1.064","","","","has coordinates","237261","2020-10-21","18:00:00",""
"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",""
"1554481","17.607","0.0012","5.4871","0.0004","25.7682","0.0017","90","","106.169","0.0015","90","","2391","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O S2 -","- C29 H28 N2 O S2 -","- C116 H112 N8 O4 S8 -","4","1","","Weldeab, Asmerom O.; Li, Lei; Cekli, Seda; Abboud, Khalil A.; Schanze, Kirk S.; Castellano, Ronald K.","Pyridine-terminated low gap π-conjugated oligomers: design, synthesis, and photophysical response to protonation and metalation","Organic Chemistry Frontiers","2018","5","21","3170","","10.1039/C8QO00963E","","","0.71073","MoKα","","0.0677","0.0456","","","0.1154","0.1232","","","","","","1.008","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554482","11.2685","0.0006","18.6581","0.0007","12.8795","0.0008","90","","111.426","0.007","90","","2520.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br N O9 -","- C26 H22 Br N O9 -","- C104 H88 Br4 N4 O36 -","4","1","","Agafonova, Anastasiya V.; Smetanin, Ilia A.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Expedient synthesis of 3-hydroxypyrroles via Bu3SnH-triggered ionic 5-exo-trig-cyclization of 5-chloro-3-azamuconoate derivatives","Organic Chemistry Frontiers","2018","5","23","3396","","10.1039/C8QO00982A","","","0.71073","MoKα","","0.0592","0.0388","","","0.0764","0.0845","","","","","","1.03","","","","has coordinates","237266","2020-10-21","18:00:00",""
"1554483","15.569","0.002","29.973","0.004","7.0564","0.001","90","","90","","90","","3292.9","0.8","293","2","293","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C16 H9 Cl F3 N O3 S -","- C16 H9 Cl F3 N O3 S -","- C128 H72 Cl8 F24 N8 O24 S8 -","8","1","","Yi, Ruxia; Li, Xincheng; Wan, Boshun","Ring-opening and cyclization of aziridines with aryl azides: metal-free synthesis of 6-(triflyloxy)quinolines","Organic Chemistry Frontiers","2018","5","23","3488","","10.1039/C8QO00984H","","","0.71073","MoKα","","0.0547","0.0494","","","0.118","0.1234","","","","","","1.115","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554484","4.9693","0.0003","5.8579","0.0003","31.3863","0.0017","90","","90","","90","","913.64","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 F O2 -","- C11 H9 F O2 -","- C44 H36 F4 O8 -","4","1","","Han, Sang Hoon; Pandey, Ashok Kumar; Lee, Heeyoung; Kim, Saegun; Kang, Dahye; Jung, Young Hoon; Kim, Hyung Sik; Hong, Sungwoo; Kim, In Su","One-pot synthesis of 2-naphthols from nitrones and MBH adducts via decarboxylative N–O bond cleavage","Organic Chemistry Frontiers","2018","5","22","3210","","10.1039/C8QO00988K","","","0.71073","MoKα","","0.069","0.0506","","","0.0992","0.106","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554486","5.7918","0.0006","13.738","0.0014","13.4519","0.0013","90","","101.436","0.004","90","","1049.09","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N3 O -","- C14 H8 N3 O -","- C56 H32 N12 O4 -","4","1","","Li, Ping-Gui; Yan, Cheng; Zhu, Shuai; Liu, Shu-Hui; Zou, Liang-Hua","Direct construction of benzimidazo[l,2-c]quinazolin-6-ones via metal-free oxidative C‒C bond cleavage","Organic Chemistry Frontiers","2018","5","23","3464","","10.1039/C8QO01039K","","","0.71073","MoKα","","0.0831","0.0547","","","0.1246","0.1389","","","","","","1.042","","","","has coordinates","237273","2020-10-21","18:00:00",""
"1554487","13.6363","0.0006","8.5322","0.0003","15.2209","0.0008","90","","116.205","0.001","90","","1588.9","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H31 N3 O4 S -","- C37 H31 N3 O4 S -","- C74 H62 N6 O8 S2 -","2","1","","Gu, Bo-Qi; Yang, Wu-Lin; Wu, Shu-Xiao; Wang, Yan-Bing; Deng, Wei-Ping","Organocatalytic asymmetric synthesis of tetrahydrocarbazoles via an inverse-electron-demand Diels–Alder reaction of 2,3-indole-dienes with enals","Organic Chemistry Frontiers","2018","5","23","3430","","10.1039/C8QO01042K","","","0.71073","MoKα","","0.0513","0.0388","","","0.0783","0.0857","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554488","9.5039","0.0007","10.0075","0.0008","10.6869","0.0008","64.045","0.002","69.351","0.002","83.294","0.002","854.35","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N O5 P -","- C17 H18 N O5 P -","- C34 H36 N2 O10 P2 -","2","1","","Wang, Jie; Li, Jun; Wei, Yuanyuan; Yang, Jingya; Huo, Congde","Copper-catalyzed oxidative phosphonation of 3,4-dihydro-1,4-benzoxazin-2-ones","Organic Chemistry Frontiers","2018","5","24","3534","","10.1039/C8QO01049H","","","1.54178","CuKα","","0.0828","0.082","","","0.1885","0.1899","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1556101","9.935","0.002","15.483","0.003","15.666","0.003","66.557","0.003","76.89","0.004","77.978","0.004","2134.4","0.7","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 N4 O3 -","- C52 H48 N4 O3 -","- C104 H96 N8 O6 -","2","1","","McCarthy, Jason R.; Jenkins, Hilary A.; Brückner, Christian","Free base meso-tetraaryl-morpholinochlorins and porpholactone from meso-tetraaryl-2,3-dihydroxy-chlorin.","Organic letters","2003","5","1","19","22","10.1021/ol027072a","","","0.71073","MoKα","","0.0827","0.0614","","","0.1855","0.1972","","","","","","1.108","","","","has coordinates,has disorder","243465","2020-10-21","18:00:00",""
"1556102","9.2879","0.0006","9.8237","0.0006","19.8438","0.0013","90","","90","","90","","1810.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O4 -","- C19 H18 I N O4 -","- C76 H72 I4 N4 O16 -","4","1","","Li, Guigen; Xu, Xin; Chen, Dianjun; Timmons, Cody; Carducci, Michael D.; Headley, Allan D.","Asymmetric halo aldol reaction (AHA).","Organic letters","2003","5","3","329","331","10.1021/ol027344+","","","0.71073","MoKα","","0.0292","0.0235","","","0.052","0.0545","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556103","10.459","0.003","12.983","0.003","13.711","0.004","101.621","0.005","96.648","0.005","94.94","0.005","1799.9","0.8","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H92 Se10 -","- C68 H92 Se10 -","- C68 H92 Se10 -","1","0.5","","Pietschnig, Rudolf; Schäfer, Sven; Merz, Klaus","Self-addition of a sterically hindered alkynylselenolate.","Organic letters","2003","5","11","1867","1869","10.1021/ol034476+","","","0.71073","MoKα","","0.0943","0.0501","","","0.1045","0.1195","","","","","","0.935","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556104","11.0472","0.0002","7.6308","0.0001","19.6869","0.0003","90","","92.423","0.001","90","","1658.1","0.04","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","1","","Magnus, Philip; Matthews, Kenneth S.; Lynch, Vince","New strategy for the synthesis of tetrahydroisoquinoline alkaloids.","Organic letters","2003","5","12","2181","2184","10.1021/ol034683+","","","0.71073","MoKα","","0.0566","0.0391","","","0.0753","0.0811","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556105","7.572","0.0003","10.031","0.0005","15.754","0.0008","90","","90","","90","","1196.59","0.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Magnus, Philip; Matthews, Kenneth S.; Lynch, Vince","New strategy for the synthesis of tetrahydroisoquinoline alkaloids.","Organic letters","2003","5","12","2181","2184","10.1021/ol034683+","","","0.71073","MoKα","","0.0696","0.041","","","0.0784","0.0878","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556106","19.3494","0.0011","20.3274","0.0011","22.3761","0.0013","90","","90","","90","","8801","0.9","150","0.2","150","0.2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C28 H16 F6 O2 -","- C28 H16 F6 O2 -","- C448 H256 F96 O32 -","16","2","","Brizius, Glen; Billingsley, Kelvin; Smith, Mark D.; Bunz, Uwe H. F.","Conformational and electronic engineering of twisted diphenylacetylenes.","Organic letters","2003","5","21","3951","3954","10.1021/ol035532+","","","0.71073","MoKα","","0.0529","0.0437","","","0.0996","0.1048","","","","","","1.036","","","","has coordinates,has disorder","243469","2020-10-21","18:00:00",""
"1556107","11.8381","0.0013","11.6026","0.0008","22.301","0.002","90","","104.522","0.007","90","","2965.2","0.5","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H40 O Si2 Sn -","- C27 H40 O Si2 Sn -","- C108 H160 O4 Si8 Sn4 -","4","2","","Simpkins, Simon M. E.; Kariuki, Benson M.; Aricó, Caterina S; Cox, Liam R.","Stereoselective synthesis of beta-(chloro)vinylsilanes using a regio- and (E)-stereoselective bis-stannylation of unsymmetrically substituted butadiynes: application to the synthesis of a masked triyne.","Organic letters","2003","5","21","3971","3974","10.1021/ol035536e","","","1.54178","CuKα","","0.0575","0.0456","","","0.1032","0.1089","","","","","","1.038","","","","has coordinates","243470","2020-10-21","18:00:00",""
"1556108","33.3269","0.0011","33.3269","0.0011","9.8038","0.0003","90","","90","","90","","10888.9","0.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24.6 H32.8 Cl O1.3 Si2 -","- C24.6 H32.8 Cl O1.3 Si2 -","- C393.6 H524.8 Cl16 O20.8 Si32 -","16","1","","Simpkins, Simon M. E.; Kariuki, Benson M.; Aricó, Caterina S; Cox, Liam R.","Stereoselective synthesis of beta-(chloro)vinylsilanes using a regio- and (E)-stereoselective bis-stannylation of unsymmetrically substituted butadiynes: application to the synthesis of a masked triyne.","Organic letters","2003","5","21","3971","3974","10.1021/ol035536e","","","1.54178","CuKα","","0.2038","0.0644","","","0.1428","0.2114","","","","","","0.932","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1556486","14.2195","0.0004","11.8504","0.0004","39.8155","0.0013","90","","97.526","0.001","90","","6651.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H112 F48 K8 N8 O8 -","- C104 H112 F48 K8 N8 O8 -","- C208 H224 F96 K16 N16 O16 -","2","0.5","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.0797","0.0453","","","0.1054","0.1185","","","","","","0.989","","","","has coordinates","244978","2020-10-21","18:00:00",""
"1556487","13.9764","0.0004","14.1787","0.0004","16.1077","0.0004","84.831","0.001","81.56","0.001","80.187","0.001","3104.31","0.15","","","","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H64 F24 K4 N4 O4 -","- C48 H64 F24 K4 N4 O4 -","- C96 H128 F48 K8 N8 O8 -","2","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","244979","2020-10-21","18:00:00",""
"1556488","13.5114","0.0014","13.5114","","17.556","0.003","90","","90","","90","","3205","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -4 21 c","P -4 2n","114","","","","- C12 H16 F6 K N O -","- C12 H16 F6 K N O -","- C96 H128 F48 K8 N8 O8 -","8","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.1014","0.0466","","","0.0794","0.0942","","","","","","0.963","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556489","18.9136","0.0008","10.774","0.0005","24.7556","0.0009","90","","108.265","0.002","90","","4790.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 F24 K4 N4 O4 -","- C32 H48 F24 K4 N4 O4 -","- C128 H192 F96 K16 N16 O16 -","4","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.0681","0.0402","","","0.0968","0.1166","","","","","","1.056","","","","has coordinates,has disorder","244981","2020-10-21","18:00:00",""
"1556490","10.3667","0.0007","18.8628","0.0012","11.387","0.0007","90","","98.15","0.004","90","","2204.2","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H70 Be2 Cl2 O2 Si8 -","- C26 H70 Be2 Cl2 O2 Si8 -","- C52 H140 Be4 Cl4 O4 Si16 -","2","0.5","","Naglav, D.; Tobey, B.; Dzialkowski, K.; Jansen, G.; Wolper, C.; Schulz, S.","Insights into Molecular Beryllium-Silicon Bonds","Inorganics","2017","5","","22","","10.3390/inorganics5020022","","","0.71073","MoKα","","0.1191","0.0564","","","0.1074","0.1242","","","","","","0.997","","","","has coordinates","244982","2020-10-21","18:00:00",""
"1556491","8.1123","0.0004","14.1264","0.0005","24.7662","0.0014","90","","99.36","0.004","90","","2800.4","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Na O3 Si -","- C26 H45 Na O3 Si -","- C104 H180 Na4 O12 Si4 -","4","1","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","","0.71073","MoKα","","0.1562","0.0852","","","0.2044","0.2505","","","","","","0.963","","","","has coordinates","244983","2020-10-21","18:00:00",""
"1556492","10.287","0.002","11.429","0.002","20.495","0.004","90","","90","","90","","2409.6","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 K O2 Si -","- C22 H37 K O2 Si -","- C88 H148 K4 O8 Si4 -","4","1","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","","0.71073","MoKα","","0.0503","0.038","","","0.0872","0.0913","","","","","","0.993","","","","has coordinates,has disorder","244984","2020-10-21","18:00:00",""
"1556493","9.4746","0.0004","14.9924","0.0008","21.7467","0.0008","90","","101.49","0.003","90","","3027.1","0.2","220","","220","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H74 Ca2 I2 O4 Si2 -","- C44 H74 Ca2 I2 O4 Si2 -","- C88 H148 Ca4 I4 O8 Si4 -","2","0.5","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","x-ray","0.71073","MoKα","","0.0636","0.0392","","","0.1089","0.1181","","","","","","0.975","","","","has coordinates","244985","2020-10-21","18:00:00",""
"1556494","18.7343","0.0017","11.6636","0.0008","23.279","0.0018","90","","106.937","0.002","90","","4866","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H64 Mg N2 P2 -","- C53 H64 Mg N2 P2 -","- C212 H256 Mg4 N8 P8 -","4","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.71075","MoKα","","0.0504","0.0406","","","0.108","0.1149","","","","","","1.022","","","","has coordinates","244986","2020-10-21","18:00:00",""
"1556495","20.547","0.004","22.5","0.005","22","0.004","90","","90.34","0.03","90","","10171","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H132 Mg2 N4 P4 -","- C122 H132 Mg2 N4 P4 -","- C488 H528 Mg8 N16 P16 -","4","0.5","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7107","synchrotron","","0.0894","0.0554","","","0.1248","0.1406","","","","","","1.02","","","","has coordinates,has disorder","244987","2020-10-21","18:00:00",""
"1556496","13.149","0.003","18.972","0.004","17.427","0.004","90","","99.58","0.03","90","","4286.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Al N2 P2 -","- C49 H57 Al N2 P2 -","- C196 H228 Al4 N8 P8 -","4","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.71073","synchrotron","","0.0408","0.0384","","","0.0994","0.1021","","","","","","1.048","","","","has coordinates","244988","2020-10-21","18:00:00",""
"1556497","19.08","0.004","34.382","0.007","16.79","0.003","90","","90.56","0.03","90","","11014","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H144 Mg2 N4 P4 -","- C110 H120 Mg2 N4 P4 -","- C440 H480 Mg8 N16 P16 -","4","0.5","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7108","synchrotron","","0.0495","0.0445","","","0.1141","0.1184","","","","","","1.051","","","","has coordinates","244989","2020-10-21","18:00:00",""
"1556498","13.51","0.003","14.4","0.003","29.43","0.006","100.84","0.03","100.81","0.03","100.62","0.03","5379","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H140 Mg2 N4 O4 P4 -","- C98 H108 Mg2 N4 P4 -","- C196 H216 Mg4 N8 P8 -","2","1","","Sindlinger, C.P.; Lawrence, S.R.; Cordes, D.B.; Slawin, A.M.Z.; Stasch, A.","Methanediide Formation via Hydrogen Elimination in Magnesium versus Aluminium Hydride Complexes of a Sterically Demanding Bis(iminophosphoranyl)methanediide","Inorganics","2017","5","","29","","10.3390/inorganics5020029","","","0.7108","synchrotron","","0.1198","0.0779","","","0.2065","0.228","","","","","","1.001","","","","has coordinates","244990","2020-10-21","18:00:00",""
"1556499","12.3641","0.0012","16.3858","0.0016","15.4945","0.0015","90","","90","","90","","3139.1","0.5","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dipp KetoImine","2-(2,6-diisopropylphenyl)pent-2-en-4-one","","- C17 H25 N O -","- C17 H25 N O -","- C136 H200 N8 O8 -","8","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0668","0.0428","","","0.1039","0.1201","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556500","10.0068","0.0006","9.8961","0.0006","12.7933","0.0008","90","","99.138","0.001","90","","1250.82","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,4,6-trimethylphenyl)pent-2-en-4-one","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0554","0.0462","","","0.1263","0.1349","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556501","6.7423","0.0004","13.9706","0.0008","18.0631","0.001","90","","90","","90","","1701.44","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dipp-Me-KetoImine","2-(2,6-diisopropylphenyl)-3-methylpent-2-en-4-one","","- C18 H27 N O -","- C18 H27 N O -","- C72 H108 N4 O4 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0454","0.0407","","","0.1129","0.1172","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556502","18.8762","0.0017","8.0097","0.0007","19.0037","0.0017","90","","107.543","0.001","90","","2739.6","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mes KetoImine","2-(2,4,6-trimethylphenylamino)-3-methylpent-2-en-4-one","","- C15 H21 N O -","- C15 H21 N O -","- C120 H168 N8 O8 -","8","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0591","0.0465","","","0.1294","0.1402","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556503","9.406","0.0008","10.7931","0.0009","11.9959","0.001","69.04","0.001","73.616","0.001","67.016","0.001","1032.5","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","lithio 2-(2,6-triisopropylphenylamino)pent-2-en-4-one dimer thf adduct","","- C42 H64 Li2 N2 O4 -","- C42 H64 Li2 N2 O4 -","- C42 H64 Li2 N2 O4 -","1","0.5","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0695","0.0464","","","0.1144","0.1274","","","","","","1.035","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556504","8.0148","0.0005","15.0628","0.0009","14.5918","0.0009","90","","103.855","0.001","90","","1710.35","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","lithio 2-(2,4,6-trimethylphenylamino)pent-2-en-4-one dimer thf adduct","","- C36 H52 Li2 N2 O4 -","- C36 H52 Li2 N2 O4 -","- C72 H104 Li4 N4 O8 -","2","0.5","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0793","0.0495","","","0.1236","0.1409","","","","","","1.025","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556505","20.843","0.005","10.495","0.002","21.365","0.005","90","","112.886","0.002","90","","4305.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","lithio 2-(2,6-diisopropylphenylamino)-3-methylpent-2-en-4-one dimer thf adduct","","- C44 H68 Li2 N2 O4 -","- C44 H68 Li2 N2 O4 -","- C176 H272 Li8 N8 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0589","0.0453","","","0.1184","0.1285","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556506","13.753","0.0009","18.3062","0.0013","24.0904","0.0017","90","","90","","90","","6065.1","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tetrakis(lithio 2-(2,4,6-trimethylphenylamino)pent-2-en-4-one)","","- C63 H80 Li4 N4 O4 -","- C63 H80 Li4 N4 O4 -","- C252 H320 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0507","0.0386","","","0.099","0.1077","","","","","","1.039","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556507","14.3398","0.0014","27.504","0.003","19.8735","0.0019","90","","107.487","0.001","90","","7475.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis lithio 2-(2,6-diisopropylphenylamino)-3-methylpent -2-en-4-one","","- C72 H104 Li4 N4 O4 -","- C72 H104 Li4 N4 O4 -","- C288 H416 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.1168","0.0654","","","0.1563","0.1786","","","","","","0.985","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556508","13.0543","0.0011","26.647","0.002","16.4965","0.0014","90","","91.218","0.001","90","","5737.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis lithio 2-(2,4,6-trimethylphenylamino)-3-methylpent -2-en-4-one","","- C60 H80 Li4 N4 O4 -","- C60 H80 Li4 N4 O4 -","- C240 H320 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.094","0.0532","","","0.1268","0.1478","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556509","8.9827","0.0002","23.6098","0.0006","22.1855","0.0005","90","","90.818","0.001","90","","4704.62","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 I Mg N3 O -","- C49 H62 I Mg N3 O -","- C196 H248 I4 Mg4 N12 O4 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0723","0.0363","","","0.0835","0.0938","","","","","","0.929","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556510","19.848","0.004","9.373","0.002","23.033","0.004","90","","90.386","0.014","90","","4284.9","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 I Mg N3 O -","- C48 H52 I Mg N3 O -","- C192 H208 I4 Mg4 N12 O4 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0545","0.0359","","","0.0858","0.0897","","","","","","0.886","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556511","20.4142","0.0004","22.2202","0.0004","39.3523","0.0007","90","","90","","90","","17850.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H104 I4 Mg3 N6 -","- C90 H104 I4 Mg3 N6 -","- C720 H832 I32 Mg24 N48 -","8","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.2154","0.0411","","","0.047","0.0665","","","","","","0.653","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556512","16.9933","0.0005","17.5771","0.0005","17.8005","0.0005","93.427","0.002","99.534","0.002","109.991","0.002","4888.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","'Tetra-μ-iodo-bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))trimagnesium'","","- C88 H84 I4 Mg3 N6 -","- C88 H84 I4 Mg3 N6 -","- C176 H168 I8 Mg6 N12 -","2","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.0876","0.0674","","","0.1305","0.1344","","","","","","1.921","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556513","15.0589","0.0012","13.0937","0.001","20.3232","0.0016","90","","99.013","0.003","90","","3957.8","0.5","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","'Bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))magnesium n-heptane solvate'","","- C47.5 H50 Mg0.5 N3 -","- C47.5 H50 Mg0.5 N3 -","- C190 H200 Mg2 N12 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.179","0.0665","","","0.1457","0.1882","","","","","","0.885","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556514","13.302","0.002","21.531","0.003","24.332","0.004","90","","101.877","0.012","90","","6819.6","1.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H84 Mg N6 -","- C81.5 H84 Mg N6 -","- C326 H336 Mg4 N24 -","4","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.1066","0.0435","","","0.0887","0.0981","","","","","","0.727","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556515","9.493","0.0009","9.9165","0.0009","16.7191","0.0014","90","","92.527","0.002","90","","1572.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 Li O Si2 -","- C11 H27 Li O Si2 -","- C44 H108 Li4 O4 Si8 -","4","1","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.0428","0.032","","","0.0898","0.0964","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556516","18.7636","0.0008","13.2303","0.0005","17.7299","0.0007","90","","112.04","0.002","90","","4079.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 Li N2 Si2 -","- C13 H35 Li N2 Si2 -","- C104 H280 Li8 N16 Si16 -","8","2","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.1013","0.0449","","","0.0964","0.1112","","","","","","0.886","","","","has coordinates,has disorder","244997","2020-10-21","18:00:00",""
"1556517","11.347","0.0019","9.7379","0.0017","14.622","0.002","90","","90.876","0.005","90","","1615.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 Na O Si2 -","- C11 H27 Na O Si2 -","- C44 H108 Na4 O4 Si8 -","4","1","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.1539","0.069","","","0.1572","0.1894","","","","","","0.891","","","","has coordinates","244998","2020-10-21","18:00:00",""
"1556518","10.45","0.004","17.414","0.006","14.258","0.005","90","","100.824","0.009","90","","2548.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H86 N6 Na2 Si4 -","- C32 H86 N6 Na2 Si4 -","- C64 H172 N12 Na4 Si8 -","2","0.5","","Von Pilgrim, M.; Mondeshki, M.; Klett, J.","[Bis(Trimethylsilyl)Methyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands","Inorganics","2017","5","","39","","10.3390/inorganics5020039","","","0.71073","MoKα","","0.0932","0.0441","","","0.103","0.1193","","","","","","0.916","","","","has coordinates,has disorder","282761","2023-04-20","06:46:04",""
"1556519","11.5777","0.0007","13.6154","0.0004","13.9687","0.0011","66.134","0.008","84.758","0.012","65.272","0.009","1821","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.0567","0.0481","","","0.1185","0.1309","","","","","","1.115","","","","has coordinates","245007","2020-10-21","18:00:00",""
"1556520","11.4218","0.0011","13.7207","0.0006","13.8041","0.0017","67.123","0.012","84.938","0.018","65.324","0.014","1804","0.4","25","","25","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.0646","0.0553","","","0.1154","0.1231","","","","","","1.076","","","","has coordinates","245008","2020-10-21","18:00:00",""
"1556521","11.7638","0.0006","13.5893","0.0005","14.1","0.001","65.962","0.011","85.184","0.014","65.815","0.009","1868.6","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 Fe N8 Ni O2 S4 -","- C40 H22 Fe N8 Ni O2 S4 -","- C80 H44 Fe2 N16 Ni2 O4 S8 -","2","1","","Takahashi, K.; Sakurai, T.; Zhang, W.-M.; Okubo, S.; Ohta, H.; Yamamoto, T.; Einaga, Y.; Mori, H.","Spin-Singlet Transition in the Magnetic Hybrid Compound from a Spin-Crossover Fe(III) Cation and pi-Radical Anion","Inorganics","2017","5","","54","","10.3390/inorganics5030054","","","0.7107","MoKα","","0.06","0.0468","","","0.1228","0.1427","","","","","","1.062","","","","has coordinates","245009","2020-10-21","18:00:00",""
"1556522","9.3874","0.0002","9.8339","0.0002","12.0913","0.0002","69.669","0.001","70.888","0.001","76.465","0.001","979.82","0.03","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Au Cl N3 O2 -","- C20 H19 Au Cl N3 O2 -","- C40 H38 Au2 Cl2 N6 O4 -","2","1","","Lanoe, P.-H.; Najjari, B.; Hallez, F.; Gontard, G.; Amouri, H.","N-Heterocyclic Carbene Coinage Metal Complexes Containing Naphthalimide Chromophore: Design, Structure, and Photophysical Properties","Inorganics","2017","5","","58","","10.3390/inorganics5030058","","","0.71073","MoKα","","0.024","0.0209","","","0.0508","0.052","","","","","","1.089","","","","has coordinates","245010","2020-10-21","18:00:00",""
"1556523","11.388","0.0004","11.8845","0.0004","15.3829","0.0005","75.0794","0.0012","75.9749","0.0013","84.3937","0.0013","1950.38","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H78 F12 Mn4 N8 O12 P2 -","- C76 H78 F12 Mn4 N8 O12 P2 -","- C76 H78 F12 Mn4 N8 O12 P2 -","1","0.5","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.0414","0.0319","","","0.078","0.0828","","","","","","1.022","","","","has coordinates,has disorder","245011","2020-10-21","18:00:00",""
"1556524","14.2002","0.0009","15.7993","0.0009","18.047","0.0011","84.638","0.003","82.694","0.004","65.057","0.003","3637.9","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H64 Mn2 N11 O18 P Re -","- C67 H64 Mn2 N11 O18 P Re -","- C134 H128 Mn4 N22 O36 P2 Re2 -","2","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.0495","0.0394","","","0.0944","0.0978","","","","","","1.12","","","","has coordinates","245012","2020-10-21","18:00:00",""
"1556525","13.813","0.0003","15.0609","0.0003","30.1361","0.0007","94.447","0.001","93.223","0.001","94.144","0.001","6222.1","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","- C237 H224 Cl2 F6 Mn12 N45 O30 P Re3 -","1","0.5","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.1131","0.057","","","0.1131","0.1331","","","","","","0.978","","","","has coordinates,has disorder","245013","2020-10-21","18:00:00",""
"1556526","23.738","0.0007","20.5122","0.0006","29.8804","0.0009","90","","93.37","0.002","90","","14524.2","0.7","298","","298","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C133 H160 F12 Mn6 N19 O20 P2 Re -","- C133 H152 F12 Mn6 N19 O20 P2 Re -","- C532 H608 F48 Mn24 N76 O80 P8 Re4 -","4","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","1.54178","CuKα","","0.1664","0.1082","","","0.1959","0.225","","","","","","1.075","","","","has coordinates","245014","2020-10-21","18:00:00",""
"1556527","15.9891","0.0018","27.544","0.003","21.779","0.002","90","","108.762","0.004","90","","9081.9","1.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H100 B2 Mn2 N10 O11 -","- C96 H100 B2 Mn2 N10 O11 -","- C384 H400 B8 Mn8 N40 O44 -","4","1","","Sukhikh, T.S.; Vostrikova, K.E.","Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)","Inorganics","2017","5","","59","","10.3390/inorganics5030059","","","0.71073","MoKα","","0.1189","0.0563","","","0.1282","0.1556","","","","","","1.021","","","","has coordinates,has disorder","245015","2020-10-21","18:00:00",""
"1556528","11.3421","0.0005","15.3291","0.0007","36.7355","0.0018","90","","90","","90","","6387","0.5","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}iron(II) tetrafluoroborate–acetonitrile(2/3)","","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C192 H228 B16 F64 Fe8 N84 P8 S8 -","8","2","","Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.","Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands","Inorganics","2017","5","","60","","10.3390/inorganics5030060","","x-ray","0.71073","MoKα","","0.081","0.0578","","","0.1078","0.118","","","","","","1.018","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556529","9.0934","0.0012","31.653","0.003","16.281","0.002","90","","136.39","0.03","90","","3232.3","1.9","150.05","0.1","150.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}zinc(II) perchlorate‒acetonitrile(2/3)","","- C24 H28.5 Cl2 N10.5 O8 P S Zn -","- C24 H28.5 Cl2 N10.5 O8 P S Zn -","- C96 H114 Cl8 N42 O32 P4 S4 Zn4 -","4","1","","Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.","Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands","Inorganics","2017","5","","60","","10.3390/inorganics5030060","","x-ray","0.71073","MoKα","","0.082","0.0699","","","0.1606","0.168","","","","","","1.109","","","","has coordinates,has disorder","245017","2020-10-21","18:00:00",""
"1556530","9.602","0.0007","18.9796","0.0014","23.8123","0.0018","90","","90","","90","","4339.6","0.6","173","0.2","173","0.2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H32 Fe N6 S2 -","- C50 H32 Fe N6 S2 -","- C200 H128 Fe4 N24 S8 -","4","0.25","","Iwai, S.; Yoshinami, K.; Nakashima, S.","Structure and Spin State of Iron(II) Assembled Complexes Using 9,10-Bis(4-pyridyl)anthracene as Bridging Ligand","Inorganics","2017","5","","61","","10.3390/inorganics5030061","","","0.71073","MoKa","","0.0711","0.0597","","","0.1666","0.1786","","","","","","0.907","","","","has coordinates","245018","2020-10-21","18:00:00",""
"1556531","13.837","0.003","13.855","0.003","20.684","0.004","77.43","0.03","77.58","0.03","86.73","0.03","3779.5","1.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B4 F16 Fe2 N20 O3 -","- C64 H54 B4 F16 Fe2 N20 O3 -","- C128 H108 B8 F32 Fe4 N40 O6 -","2","1","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.0873","0.0691","","","0.1966","0.2111","","","","","","1.071","","","","has coordinates,has disorder","245019","2020-10-21","18:00:00",""
"1556532","21.131","0.004","17.391","0.004","21.069","0.004","90","","107","0.03","90","","7404","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H57 B4 F16 Fe2 N19.5 -","- C65 H57 B4 F16 Fe2 N19.5 -","- C260 H228 B16 F64 Fe8 N78 -","4","0.5","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.1371","0.1035","","","0.293","0.322","","","","","","1.096","","","","has coordinates,has disorder","245020","2020-10-21","18:00:00",""
"1556533","9.521","0.0019","16.723","0.003","23.621","0.005","95.29","0.03","100.29","0.03","92.93","0.03","3675.9","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B4 F15.5 Fe2 N20 S3 -","- C64 H54 B4 F15.5 Fe2 N20 S3 -","- C128 H108 B8 F31 Fe4 N40 S6 -","2","1","","Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F.","Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type","Inorganics","2017","5","","62","","10.3390/inorganics5040062","","","0.71073","MoKα","","0.1389","0.1086","","","0.2905","0.3308","","","","","","1.138","","","","has coordinates,has disorder","245021","2020-10-21","18:00:00",""
"1556545","11.5359","0.0016","6.7079","0.0009","10.1493","0.0013","90","","115.83","0.004","90","","706.9","0.17","100","2","100","2","","","","","","","synthetical product","4","P 1 21/c 1","-P 2ybc","14","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","","- C10 H22 O5 Si2 -","- C10 H22 O5 Si2 -","- C20 H44 O10 Si4 -","2","0.5","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0413","0.0326","","","0.0829","0.0873","","","","","","1.095","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556546","10.1476","0.0005","20.7484","0.001","6.7022","0.0003","90","","90","","90","","1411.12","0.12","100","2","100","2","","","","","","","synthetical product","4","C m c e","-C 2ac 2","64","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","","- C10 H22 O5 Si2 -","- C10 H22 O5 Si2 -","- C40 H88 O20 Si8 -","4","0.25","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0372","0.0344","","","0.0867","0.0903","","","","","","1.159","","","","has coordinates,has disorder","245046","2020-10-21","18:00:00",""
"1556547","16.2855","0.0008","22.346","0.0011","19.6563","0.0009","90","","90","","90","","7153.2","0.6","100","2","100","2","","","","","","","synthetical product","4","C c c a :2","-C 2a 2ac","68","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane","","- C30 H54 O9 Si6 -","- C30 H54 O9 Si6 -","- C240 H432 O72 Si48 -","8","0.5","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0533","0.0378","","","0.0994","0.1049","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556548","21.594","0.003","27.753","0.004","23.938","0.003","90","","93.631","0.003","90","","14317","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H45 Cl2 F18 N3 P4 Ru -","- C69 H45 Cl2 F18 N3 P4 Ru -","- C552 H360 Cl16 F144 N24 P32 Ru8 -","8","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.1275","0.0715","","","0.1777","0.1975","","","","","","1.053","","","","has coordinates","245047","2020-10-21","18:00:00",""
"1556549","14.2851","0.0006","18.909","0.0008","29.8721","0.0012","90","","97.011","0.002","90","","8008.6","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 F18 N5 P4 Ru -","- C69 H45 F18 N5 P4 Ru -","- C276 H180 F72 N20 P16 Ru4 -","4","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.088","0.0666","","","0.1867","0.2002","","","","","","1.436","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556550","19.1879","0.0009","18.1604","0.0008","19.7879","0.0009","90","","91.012","0.002","90","","6894.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 Cl6 N3 P4 Ru -","- C65 H55 Cl6 N3 P4 Ru -","- C260 H220 Cl24 N12 P16 Ru4 -","4","1","","Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.","3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation","Inorganics","2017","5","","73","","10.3390/inorganics5040073","","","0.71073","MoKα","","0.0505","0.0412","","","0.1353","0.1435","","","","","","1.134","","","","has coordinates","245049","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",""
"1556552","10.337","0.006","10.816","0.006","12.119","0.007","72.216","0.016","84.13","0.02","69.554","0.017","1208.9","1.2","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C31.5 H27 O2.5 -","- C31.5 H27 O2.5 -","- C63 H54 O5 -","2","1","","Nguyen, H.N.; Tashima, N.; Ikariya, T.; Kuwata, S.","Ruthenium-Catalyzed Dimerization of 1,1-Diphenylpropargyl Alcohol to a Hydroxybenzocyclobutene and Related Reactions","Inorganics","2017","5","","80","","10.3390/inorganics5040080","","","0.71075","MoKα","","0.062","0.051","","","0.1383","0.1477","","","","","","0.98","","","","has coordinates,has disorder","245051","2020-10-21","18:00:00",""
"1556553","17.089","0.004","12.512","0.003","20.001","0.004","90","","107.378","0.002","90","","4081.4","1.6","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H50 O3 Ru -","- C55 H50 O3 Ru -","- C220 H200 O12 Ru4 -","4","1","","Nguyen, H.N.; Tashima, N.; Ikariya, T.; Kuwata, S.","Ruthenium-Catalyzed Dimerization of 1,1-Diphenylpropargyl Alcohol to a Hydroxybenzocyclobutene and Related Reactions","Inorganics","2017","5","","80","","10.3390/inorganics5040080","","","0.71075","MoKα","","0.0392","0.0332","","","0.0774","0.0795","","","","","","1.359","","","","has coordinates","245051","2020-10-21","18:00:00",""
"1556554","10.8179","0.0006","22.0783","0.0012","22.8654","0.0012","90","","92.1391","0.0012","90","","5457.4","0.5","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H78 N4 Pd4 Si3 -","- C41.5 H78 N4 Pd4 Si3 -","- C166 H312 N16 Pd16 Si12 -","4","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","MoKα","","0.0537","0.0516","","","0.1496","0.1518","","","","","","1.101","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556555","14.505","0.003","15.339","0.004","15.655","0.004","89.593","0.012","63.724","0.006","81.301","0.011","3080.2","1.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H100 N6 Pd4 Si3 -","- C51 H100 N6 Pd4 Si3 -","- C102 H200 N12 Pd8 Si6 -","2","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","MoKα","","0.0585","0.0439","","","0.0933","0.1016","","","","","","1.076","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556556","11.2891","0.0018","12.711","0.002","19.549","0.003","81.516","0.006","85.854","0.006","64.096","0.005","2495.6","0.7","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H75 O9 P3 Pd3 Si3 -","- C38.5 H75 O9 P3 Pd3 Si3 -","- C77 H150 O18 P6 Pd6 Si6 -","2","1","","Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.","Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane","Inorganics","2017","5","","84","","10.3390/inorganics5040084","","","0.71075","synchrotron","","0.0523","0.037","","","0.0774","0.083","","","","","","1.023","","","","has coordinates","245052","2020-10-21","18:00:00",""
"1556557","13.4778","0.0017","15.173","0.002","17.57","0.002","90","","90","","90","","3593","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Cl2 N4 Zn -","- C13 H28 Cl2 N4 Zn -","- C104 H224 Cl16 N32 Zn8 -","8","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0579","0.0438","","","0.0888","0.0942","","","","","","0.946","","","","has coordinates","245053","2020-10-21","18:00:00",""
"1556558","9.4718","0.0016","18.095","0.003","10.1331","0.0018","90","","103.908","0.003","90","","1685.8","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Cl2 N4 Zn -","- C13 H26 Cl2 N4 Zn -","- C52 H104 Cl8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.06","0.0434","","","0.0885","0.0942","","","","","","0.985","","","","has coordinates","245054","2020-10-21","18:00:00",""
"1556559","9.2972","0.0019","14.257","0.003","13.2","0.003","90","","101.844","0.003","90","","1712.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 Br2 N4 Zn -","- C13 H26 Br2 N4 Zn -","- C52 H104 Br8 N16 Zn4 -","4","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0519","0.0455","","","0.1129","0.1164","","","","","","1.027","","","","has coordinates","245055","2020-10-21","18:00:00",""
"1556756","3.5029","0.0001","12.8699","0.0005","15.6768","0.0008","90","","90","","90","","706.74","0.05","400","2","400","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni4 Se20 Ta8 -","4","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.27865","synchrotron","","0.0238","0.0197","","","0.0519","0.053","","","","","","1.147","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556757","3.4375","0.0002","12.375","0.001","15.4437","0.0014","90","","90","","90","","656.96","0.09","300","2","300","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni4 Se20 Ta8 -","4","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0433","0.0352","","","0.0886","0.0901","","","","","","0.998","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556758","3.437","0.001","5.861","0.001","15.512","0.0001","90","","90","","90","","312.48","0.11","200","2","200","2","","","","","","","","3","P m n m :2","-P 2c 2a","59","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni2 Se10 Ta4 -","2","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0406","0.0346","","","0.0797","0.081","","","","","","1.139","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556759","3.437","0.001","5.849","0.011","15.512","0.001","90","","90.53","0.01","90","","311.8","0.6","50","2","50","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni2 Se10 Ta4 -","2","0.5","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0557","0.0487","","","0.1122","0.1143","","","","","","1.047","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556829","11.7925","0.0004","11.9665","0.0004","13.4375","0.0004","93.29","0.002","95.681","0.002","118.683","0.002","1643.38","0.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 Cl2 Cu2 I2 N O2 S2 -","- C30 H29 Cl2 Cu2 I2 N O2 S2 -","- C60 H58 Cl4 Cu4 I4 N2 O4 S4 -","2","1","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0935","0.0738","","","0.2191","0.2336","","","","","","1.113","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556830","23.3017","0.0006","13.4569","0.0004","26.9935","0.0007","90","","102.963","0.001","90","","8248.6","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Cd2 I4 N O2 S2 -","- C29 H27 Cd2 I4 N O2 S2 -","- C232 H216 Cd16 I32 N8 O16 S16 -","8","1","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0535","0.0432","","","0.0992","0.1025","","","","","","1.112","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556831","11.66","0.003","12.147","0.003","12.585","0.004","75.142","0.011","87.056","0.013","86.996","0.013","1719.2","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 Cd4 I8 N2 O4 S4 -","- C58 H54 Cd4 I8 N2 O4 S4 -","- C58 H54 Cd4 I8 N2 O4 S4 -","1","0.5","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0247","0.0205","","","0.044","0.0457","","","","","","1.028","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556832","11.3166","0.0011","13.4404","0.0015","24.586","0.002","86.655","0.007","89.396","0.006","78.371","0.007","3656.5","0.6","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H106 Cd8 I16 N4 O8 S8 -","- C116 H106 Cd8 I16 N4 O8 S8 -","- C116 H106 Cd8 I16 N4 O8 S8 -","1","0.5","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.2147","0.1848","","","0.4191","0.4304","","","","","","1.129","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556833","8.9645","0.0002","14.4098","0.0003","14.8826","0.0003","65.853","0.001","73.386","0.001","81.546","0.001","1680.04","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H27 Cd Cu I3 N O2 S2 -","- C29 H27 Cd Cu I3 N O2 S2 -","- C58 H54 Cd2 Cu2 I6 N2 O4 S4 -","2","1","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0194","0.0168","","","0.0377","0.0389","","","","","","1.043","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556834","19.442","0.0015","19.442","0.0015","19.442","0.0015","90","","90","","90","","7348.9","1","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.438824 Na0.00364706 O2 Si -","- C59.68 Na0.496 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.0666","0.0548","","","0.133","0.1367","","","","","","1.154","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556835","19.4214","0.0015","19.4214","0.0015","19.4214","0.0015","90","","90","","90","","7325.6","1","273","2","273","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.451765 Na0.00458824 O2 Si -","- C61.44 Na0.624 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.0883","0.0799","","","0.1583","0.1607","","","","","","1.258","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556836","23.7844","0.0003","13.732","0.005","23.784","0.003","90","","109.47","","90","0.03","7324","3","250","2","250","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.766667 O4.53333 Si2.26667 -","- C46 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2156","0.1014","","","0.2597","0.2801","","","","","","1.143","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556837","19.4199","0.0015","19.4199","0.0015","19.4199","0.0015","90","","90","","90","","7323.9","1","250","2","250","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.487059 Na0.00588235 O2 Si -","- C66.24 Na0.8 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1723","0.1675","","","0.3247","0.3265","","","","","","1.002","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556838","23.834","0.005","13.76","0.005","23.833","0.003","90","","109.47","","90","0.03","7369","3","200","2","200","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.614667 O4.53333 Si2.26667 -","- C36.88 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1783","0.0879","","","0.2436","0.2784","","","","","","0.915","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556839","19.3944","0.0015","19.3944","0.0015","19.3944","0.0015","90","","90","","90","","7295.1","1","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.508235 Na0.00705882 O2 Si -","- C69.12 Na0.96 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2041","0.1998","","","0.3773","0.379","","","","","","1.287","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556840","23.834","0.005","13.76","0.005","23.833","0.003","90","","109.47","","90","0.03","7369","3","150","2","150","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.682667 O4.53333 Si2.26667 -","- C40.96 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1369","0.064","","","0.1622","0.1861","","","","","","0.839","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556841","19.3944","0.0015","19.3944","0.0015","19.3944","0.0015","90","","90","","90","","7295.1","1","150","2","150","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.538824 Na0.00941176 O2 Si -","- C73.28 Na1.28 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2253","0.2203","","","0.4126","0.4153","","","","","","1.201","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556842","23.7054","0.0002","13.6861","0.0011","23.7051","0.0002","90","","109.47","","90","0.03","7251","0.6","100","2","100","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.725333 O4.53333 Si2.26667 -","- C43.52 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1387","0.0706","","","0.1768","0.1991","","","","","","0.896","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556843","19.3944","0.0015","19.3944","0.0015","19.3944","0.0015","90","","90","","90","","7295.1","1","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.527059 Na0.0105882 O2 Si -","- C71.68 Na1.44 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2351","0.2308","","","0.4282","0.4303","","","","","","1.192","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1557175","8.127","0.007","8.411","0.009","12.536","0.01","105.36","0.04","96.52","0.02","94.77","0.03","815.2","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C16 H21 N3 O4 -","- C16 H21 N3 O4 -","- C32 H42 N6 O8 -","2","1","BT4088","Yoo, Miri; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2020","5","1","x200034","","10.1107/S2414314620000346","","","0.71073","MoKα","","0.0621","0.0488","","","0.1318","0.142","","","","","","1.059","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557176","13.209","0.007","6.343","0.003","27.08","0.014","90","","103.356","0.008","90","","2207.5","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","","- C25 H22 N2 O2 Se -","- C25 H22 N2 O2 Se -","- C100 H88 N8 O8 Se4 -","4","1","BV4028","Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed","[4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide","IUCrData","2020","5","1","x200078","","10.1107/S2414314620000784","","","0.71073","MoKα","","0.0797","0.0412","","","0.0937","0.1076","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:37",""
"1557177","7.484","0.001","8.587","0.001","18.523","0.002","83.782","0.004","81.868","0.004","71.189","0.004","1113","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","- C40 H74 Co N8 S4 -","1","0.5","WM4120","Giltzau, Niels Ole; Köckerling, Martin","Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II)","IUCrData","2020","5","1","x200023","","10.1107/S2414314620000231","","","0.71073","MoKα","","0.0932","0.0489","","","0.0927","0.1064","","","","","","1.043","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557178","15.5801","0.0012","8.3414","0.0006","12.1298","0.0008","90","","97.086","0.003","90","","1564.35","0.19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 F O5 -","- C18 H17 F O5 -","- C72 H68 F4 O20 -","4","1","LH4051","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","1","x200071","","10.1107/S2414314620000711","","","0.71073","MoKα","","0.0856","0.0475","","","0.107","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557208","29.1537","0.0009","8.8739","0.0003","19.9919","0.0006","90","","123.621","0.001","90","","4306.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-Phenylenediammonium bis(p-toluenesulfonate)","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C160 H192 N16 O48 S16 -","8","1","BV4029","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate)","IUCrData","2020","5","1","x200100","","10.1107/S2414314620001005","","","0.71073","MoKα","","0.0674","0.0399","","","0.1028","0.1263","","","","","","1.074","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557209","5.5075","0.0003","6.789","0.0003","12.2572","0.0006","90","","90","","90","","458.3","0.04","100","","100","","","","","","","","","3","I m m m","-I 2 2","71","Caesium tetrafluoridobromate(III)","Caesium tetrafluoridobromate(III)","","- Br Cs F4 -","- Br Cs F4 -","- Br4 Cs4 F16 -","4","0.25","WM4121","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data","IUCrData","2020","5","1","x200114","","10.1107/S2414314620001145","","","0.71073","MoKα","","0.0151","0.0119","","","0.0212","0.0217","","","","","","1.119","","","","has coordinates,has Fobs","247896","2020-10-21","18:00:00",""
"1557210","7.0481","0.0003","18.2185","0.0008","12.6391","0.0006","90","","104.947","0.004","90","","1568.02","0.12","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C19 H13 I O2 -","- C19 H13 I O2 -","- C76 H52 I4 O8 -","4","1","HB4334","Dean, Raven; Miller, Chelsea N.; Zingales, Sarah K.; Padgett, Clifford W.","3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","1","x200110","","10.1107/S2414314620001108","","","0.71073","MoKα","","0.0863","0.0451","","","0.0819","0.0962","","","","","","1.123","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557252","9.0627","0.0006","10.7595","0.0008","24.4636","0.0019","90","","100.599","0.003","90","","2344.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","","- C29 H23 Cl N2 O -","- C29 H23 Cl N2 O -","- C116 H92 Cl4 N8 O4 -","4","1","ZL4037","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol","IUCrData","2020","5","1","x191690","","10.1107/S2414314619016900","","","0.71073","MoKα","","0.0699","0.047","","","0.1087","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557264","8.8341","0.0004","24.3932","0.0009","11.6111","0.0005","90","","108.086","0.002","90","","2378.47","0.17","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydronium bis(trifluoromethanesulfonyl)amide–18-crown-6 (1/1)","","- C14 H27 F6 N O11 S2 -","- C14 H27 F6 N O11 S2 -","- C56 H108 F24 N4 O44 S8 -","4","2","IS4042","Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki","Hydronium bis(trifluoromethanesulfonyl)amide–18-crown-6 (1/1)","IUCrData","2020","5","2","x200162","","10.1107/S2414314620001625","","","0.71073","MoKα","","0.064","0.0624","","","0.161","0.162","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:37",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557303","9.1617","0.0009","19.233","0.003","13.0065","0.0013","90","","91.136","0.008","90","","2291.4","0.5","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium tetramagnesium pentakis(carbonate) decahydrate","","- C5 H20 Cs2 Mg4 O25 -","- C5 H20 Cs2 Mg4 O25 -","- C20 H80 Cs8 Mg16 O100 -","4","1","WM4122","Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang","Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs2Mg4(CO3)5·10H2O","IUCrData","2020","5","2","x200165","","10.1107/S2414314620001650","","","0.71073","MoKα","","0.0895","0.0731","","","0.2175","0.2742","","","","","","1.221","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:46",""
"1557304","4.1658","0.0002","10.4706","0.0006","12.7624","0.0007","90","","95.958","0.002","90","","553.67","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","BV4026","Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide)","IUCrData","2020","5","2","x200171","","10.1107/S2414314620001716","","","0.71073","MoKα","","0.0492","0.0409","","","0.0949","0.1002","","","","","","1.06","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557305","11.076","0.002","11.076","0.002","16.478","0.003","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","IS4040","Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","IUCrData","2020","5","2","x200143","","10.1107/S2414314620001431","","","0.71073","MoKα","","0.0828","0.0328","","","0.0685","0.0834","","","","","","0.886","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557306","5.5457","0.0006","9.1108","0.001","43.511","0.006","90","","90.376","0.005","90","","2198.4","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Octadecylsulfanyl)-1,3-thiazole","","- C21 H39 N S2 -","- C21 H39 N S2 -","- C84 H156 N4 S8 -","4","2","BV4027","Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan","2-(Octadecylsulfanyl)-1,3-thiazole","IUCrData","2020","5","2","x200170","","10.1107/S2414314620001704","","","1.54178","CuKα","","0.1015","0.0967","","","0.2546","0.263","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557320","9.6598","0.0004","7.4249","0.0003","11.2457","0.0006","90","","109.745","0.005","90","","759.15","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Nitro-2,3-bis(thien-2-yl)quinoxaline","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C32 H18 N6 O4 S4 -","2","1","FF4033","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200196","","10.1107/S2414314620001960","","","0.71073","MoKα","","0.0777","0.0377","","","0.0696","0.0764","","","","","","0.807","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557321","11.7649","0.0004","5.3386","0.0002","24.3536","0.0008","90","","105.61","0.003","90","","1473.18","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Nitro-2,3-bis(thien-2-yl)quinoxaline","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","","- C16 H9 N3 O2 S2 -","- C16 H9 N3 O2 S2 -","- C64 H36 N12 O8 S8 -","4","1","FF4034","de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy","6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline","IUCrData","2020","5","2","x200203","","10.1107/S2414314620002035","","","0.71073","MoKα","","0.0994","0.0624","","","0.1848","0.1988","","","","","","1.06","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557368","21.55","0.0008","6.0366","0.0002","27.4915","0.0009","90","","92.111","0.001","90","","3573.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4-methoxyphenyl)naphthalene","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","TK4061","Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G.","1,4-Bis(4-methoxyphenyl)naphthalene","IUCrData","2020","5","2","x200212","","10.1107/S2414314620002126","","","0.71073","MoKα","","0.1554","0.0773","","","0.1995","0.2814","","","","","","1.019","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557369","14.6392","0.0005","5.7111","0.0002","17.5295","0.0006","90","","102.349","0.001","90","","1431.66","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 4-methylbenzenesulfonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","HB4337","Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.","2-Aminoanilinium 4-methylbenzenesulfonate","IUCrData","2020","5","2","x200230","","10.1107/S2414314620002308","","","0.71073","MoKα","","0.0628","0.0424","","","0.1099","0.1271","","","","","","1.062","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557370","10.2628","0.0006","20.5653","0.0013","13.3923","0.0008","90","","111.638","0.0015","90","","2627.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","","- C26 H34 O4 Si2 -","- C26 H34 O4 Si2 -","- C104 H136 O16 Si8 -","4","1","BT4089","Weil, Matthias; Kremsmayr, Thomas; Mihovilovic, Marko D.","6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one","IUCrData","2020","5","2","x200224","","10.1107/S2414314620002242","","","0.71073","MoKα","","0.0591","0.0408","","","0.0955","0.1042","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:37",""
"1557413","13.949","0.0009","4.9891","0.0003","17.3647","0.0011","90","","105.693","0.004","90","","1163.42","0.13","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Bis(2-oxopropyl)thymine","5-Methyl-1,3-bis(2-oxopropyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","ZQ4039","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Soares, Fábio da Paixão","1,3-Bis(2-oxopropyl)thymine","IUCrData","2020","5","2","x200257","","10.1107/S2414314620002576","","","0.71073","MoKα","","0.0621","0.042","","","0.0931","0.103","","","","","","1.027","","","","has coordinates,has Fobs","248570","2020-10-21","18:00:00",""
"1557414","14.7455","0.001","11.9504","0.0008","11.9649","0.0008","90","","101.898","0.002","90","","2063.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","","- C25 H19 N O7 -","- C25 H19 N O7 -","- C100 H76 N4 O28 -","4","1","HB4338","Lough, Alan J.; Ho, Angel; Tam, William","[(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate","IUCrData","2020","5","2","x200265","","10.1107/S2414314620002655","","","0.71073","MoKα","","0.0617","0.0359","","","0.0821","0.093","","","","","","1.011","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","x200261","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:47",""
"1557516","9.4559","0.0003","12.8405","0.0004","8.9638","0.0003","90","","111.445","0.001","90","","1013.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","HB4340","Lough, Alan J.; Pounder, Austin; Wicks, Christopher; Tam, William","1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine","IUCrData","2020","5","3","x200288","","10.1107/S2414314620002886","","","0.71073","MoKα","","0.0413","0.035","","","0.093","0.0996","","","","","","1.065","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557517","9.3106","0.0011","8.7232","0.0008","13.4776","0.0012","90","","91.959","0.008","90","","1093.99","0.19","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Nonacyclo[9.7.7.7^2,10^.0^1,11^.0^2,10^.0^3,8^.0^12,17^.0^19,24^.0^26,31^]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","0.5","RZ4037","Detert, Heiner; Jacobs, Nina; Schollmeyer, Dieter","The head-to-head photodimer of indenoindene","IUCrData","2020","5","3","x200307","","10.1107/S2414314620003077","","","0.71073","MoKα","","0.1164","0.0607","","","0.1665","0.196","","","","","","0.973","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557519","16.7781","0.0017","16.3902","0.0018","4.7894","0.0005","90","","90","","90","","1317.1","0.2","293","1","293","1","","","","","","","","4","P m n 21","P 2ac -2","31","","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","0.5","GG4004","Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate","IUCrData","2020","5","3","x200281","","10.1107/S2414314620002813","","x-ray","0.71073","MoKα","","0.0928","0.048","","","0.0843","0.1007","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249121","2020-10-21","18:00:00",""
"1557573","12.2712","0.0007","11.2934","0.0006","10.8984","0.0007","90","","112.565","0.002","90","","1394.71","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","HB4341","Lough, Alan J.; Koh, Samuel; Tam, William","12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol","IUCrData","2020","5","3","x200315","","10.1107/S2414314620003156","","","0.71073","MoKα","","0.0643","0.0396","","","0.0944","0.1099","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557611","9.942","0.002","22.986","0.005","26.512","0.005","90","","90","","90","","6059","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","24,27-Dibenzyl-15,18-bis(butan-2-yl)-12,21-bis(2-methylpropyl)-9-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^3,7^]tritriacontane-2,8,11,14,17,20,23,26,29-nonone dimethyl sulfoxide monosolvate","","- C59 H90 N9 O10 S -","- C59 H90 N9 O10 S -","- C236 H360 N36 O40 S4 -","4","1","LH4052","Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","IUCrData","2020","5","3","x200318","","10.1107/S2414314620003181","","","0.68882","synchrotron","","0.0446","0.0394","","","0.0977","0.1006","","","","","","1.038","","","","has coordinates,has Fobs","249390","2020-10-21","18:00:00",""
"1557612","9.434","0.0019","17.134","0.004","8.826","0.0018","90","","105.01","0.04","90","","1378","0.6","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","BH4051","Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir","(<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione","IUCrData","2020","5","3","","","10.1107/S2414314620003569","","","1.54184","CuKα","","0.052","0.0445","","","0.1177","0.123","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:37",""
"1557619","7.2285","0.0005","7.2385","0.0005","13.7586","0.0011","102.192","0.007","99.616","0.006","104.149","0.006","663.91","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","","- C14 H11 Cl N2 O2 S -","- C14 H11 Cl N2 O2 S -","- C28 H22 Cl2 N4 O4 S2 -","2","1","HB4342","Narayan, Easha; Fu, Liangfeng; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P.","7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine","IUCrData","2020","5","3","x200382","","10.1107/S241431462000382X","","","1.54184","CuKα","","0.0485","0.043","","","0.1069","0.1144","","","","","","1.041","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557620","7.0953","0.0008","8.931","0.0008","18.219","0.002","90","","95.49","0.009","90","","1149.2","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","","- C30 H22 N4 -","- C30 H22 N4 -","- C60 H44 N8 -","2","0.5","BT4090","Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter","2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine","IUCrData","2020","5","3","x200372","","10.1107/S2414314620003727","","","0.71073","MoKα","","0.0838","0.0434","","","0.0989","0.1104","","","","","","0.989","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557683","10.7335","0.0009","12.4005","0.001","7.9206","0.0006","90","","93.654","0.004","90","","1052.09","0.15","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","HB4343","Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina","4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile","IUCrData","2020","5","3","x200385","","10.1107/S2414314620003855","","","0.71073","MoKα","","0.0688","0.0495","","","0.1522","0.1795","","","","","","1.156","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557697","6.1631","0.0006","19.253","0.002","18.0743","0.0019","90","","96.83","0.001","90","","2129.4","0.4","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1',2-tris(methylcarboxyphenyl)ethene","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","ZL4040","Lesley, Melvin J. G.; Ozhan, Koray; Sung, Herman H.-Y.; Williams, Ian D.","Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate","IUCrData","2020","5","3","x200417","","10.1107/S2414314620004174","","","0.71073","MoKα","","0.0569","0.048","","","0.1185","0.1246","","","","","","1.021","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557751","14.6285","0.0004","29.9816","0.0007","20.5191","0.0005","90","","94.548","0.007","90","","8971","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 N7 O18 V7 -","- C66 H94 N7 O18 V7 -","- C264 H376 N28 O72 V28 -","4","1","IS4043","Kodama, Shintaro; Kondo, Shota; Nomoto, Akihiro; Ogawa, Akiya","Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)(<i>trans</i>-4-<i>tert</i>-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule","IUCrData","2020","5","4","x200449","","10.1107/S2414314620004496","","","0.71075","MoKα","","0.0956","0.0738","","","0.1891","0.2017","","","","","","1.015","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557752","8.7612","0.0008","13.1852","0.0013","16.4458","0.0019","90","","94.4","0.009","90","","1894.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]","","- C12 H16 Cu2 I2 N2 S4 -","- C12 H16 Cu2 I2 N2 S4 -","- C48 H64 Cu8 I8 N8 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer","IUCrData","2020","5","4","x200467","","10.1107/S2414314620004678","","","0.71073","MoKα","","0.045","0.0359","","","0.0783","0.0837","","","","","","1.161","","","","has coordinates,has Fobs","250495","2020-10-21","18:00:00",""
"1557753","5.3009","0.0008","8.625","0.0012","10.6976","0.0014","90","","91.146","0.005","90","","489","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","","- C6 H6 F8 O4 -","- C6 H6 F8 O4 -","- C12 H12 F16 O8 -","2","1","LH4054","Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M.","2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol","IUCrData","2020","5","4","x200445","","10.1107/S2414314620004459","","","0.71073","MoKα","","0.0389","0.0379","","","0.0982","0.0998","","","","","","1.001","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557817","6.1444","0.0006","12.8514","0.0013","19.3315","0.0019","90","","91.626","0.003","90","","1525.9","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>-Diallyl-5-methoxytryptamine","<i>N</i>-[2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-(prop-2-en-1-yl)prop-2-en-1-amine","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","BX4017","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine","IUCrData","2020","5","4","x200498","","10.1107/S2414314620004988","","","0.71073","MoKα","","0.0598","0.0408","","","0.0941","0.1057","","","","","","1.05","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557847","16.7588","0.0004","23.4597","0.0005","8.7769","0.0002","90","","98.771","0.001","90","","3410.34","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","HB4345","Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S.","2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one","IUCrData","2020","5","4","x200526","","10.1107/S241431462000526X","","","0.71073","MoKα","","0.1723","0.0797","","","0.1648","0.2005","","","","","","1.03","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557980","13.93535","0.00018","13.93535","0.00018","13.1629","0.0003","90","","90","","90","","2556.16","0.07","293","2","293","2","","","","","","","","3","I -4","I -4","82","2,3-Diethylbenzo[g]quinoxaline","2,3-Diethylbenzo[<i>g</i>]quinoxaline","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","HB4346","Crundwell, Guy; Leeds, Ashley","2,3-Diethylbenzo[<i>g</i>]quinoxaline","IUCrData","2020","5","4","x200454","","10.1107/S241431462000454X","","x-ray","0.71073","MoKα","","0.0627","0.0477","","","0.1256","0.136","","","","","","1.037","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1557981","6.383","0.008","12.498","0.015","12.814","0.016","68.718","0.011","86.988","0.012","81.397","0.012","942","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H40 N2 -","- C52 H40 N2 -","- C52 H40 N2 -","1","0.5","","Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou","2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline","IUCrData","2020","5","4","x200531","","10.1107/S2414314620005313","","","0.71073","MoKα","","0.1092","0.0595","","","0.1303","0.1582","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558035","4.8774","0.0013","9.47","0.003","12.719","0.003","106.784","0.007","97.222","0.007","92.444","0.008","556.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","XU4040","Yu, MingChao; Wang, LinLin; Wang, LingYang; Wu, ZhiYong","2-(2-Ethoxy-2-oxoacetamido)benzoic acid","IUCrData","2020","5","5","x200603","","10.1107/S2414314620006033","","","0.71073","MoKα","","0.0608","0.0487","","","0.1264","0.1375","","","","","","1.063","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558091","6.3076","0.0004","9.549","0.0006","11.3951","0.0008","90","","90","","90","","686.34","0.08","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","","- C5 H9 Cl N2 -","- C5 H9 Cl N2 -","- C20 H36 Cl4 N8 -","4","1","BV4030","Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C.","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","IUCrData","2020","5","5","x200660","","10.1107/S2414314620006604","","","0.71073","MoKα","","0.0213","0.0194","","","0.0489","0.0499","","","","","","1.107","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558131","26.429","0.002","26.429","0.002","7.867","0.0007","90","","90","","90","","5495","0.8","110","","110","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H24 Cl N2 O5 -","- C28 H24 Cl N2 O5 -","- C224 H192 Cl8 N16 O40 -","8","1","","Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong","NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones","ACS Omega","2020","5","22","13454","13461","10.1021/acsomega.0c01930","","","0.71073","MoKα","","0.1561","0.0746","","","0.1877","0.2393","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1558159","16.9376","0.0006","13.144","0.0004","10.6399","0.0004","90","","92.891","0.004","90","","2365.72","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","","- C25 H18 Cl F2 N5 S -","- C25 H18 Cl F2 N5 S -","- C100 H72 Cl4 F8 N20 S4 -","4","1","ZL4041","Alanazi, Saud A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole","IUCrData","2020","5","5","x200700","","10.1107/S2414314620007002","","","0.71073","MoKα","","0.0955","0.0484","","","0.1036","0.1252","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","252489","2020-10-21","18:00:00",""
"1558160","10.882","0.0006","8.4029","0.0004","18.9678","0.0011","90","","95.44","0.002","90","","1726.61","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate; 1,2-dimethyl-1<i>H</i>-imidazole","","- C16 H22 N4 O3 S -","- C16 H22 N4 O3 S -","- C64 H88 N16 O12 S4 -","4","1","BV4031","Cyr, Noah; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1<i>H</i>-imidazole co-crystal","IUCrData","2020","5","5","x200689","","10.1107/S2414314620006896","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0945","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:38",""
"1558161","10.2564","0.0007","6.5369","0.0005","10.9683","0.0009","90","","95.067","0.007","90","","732.5","0.1","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","Dipropylammonium 4-aminobenzenesulfonate","Dipropylazanium 4-aminobenzenesulfonate","","- C12 H22 N2 O3 S -","- C12 H22 N2 O3 S -","- C24 H44 N4 O6 S2 -","2","1","HB4347","Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François","Dipropylammonium 4-aminobenzenesulfonate","IUCrData","2020","5","5","x200659","","10.1107/S2414314620006598","","","0.71073","MoKα","","0.047","0.0388","","","0.0895","0.0966","","","","","","1.172","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","x200768","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558316","7.7611","0.0004","7.2894","0.0004","24.0331","0.0013","90","","93.5573","0.0012","90","","1357.02","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1 JSloop","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","BT4094","Encarnacion-Thomas, Elvia; Sommer, Roger D.; Mallia, Ajay; Sloop, Joseph","(<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one","IUCrData","2020","5","6","x200759","","10.1107/S2414314620007592","","","0.71073","MoKα","","0.0612","0.0437","","","0.1136","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558329","5.5734","0.0004","9.2537","0.0009","14.2547","0.0012","91.995","0.007","99.103","0.006","95.567","0.007","721.56","0.11","296","1","296","1","","","","","","","","5","P 1","P 1","1","","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","- C23 H34 Cl3 N O12 -","1","1","BX4018","Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain","Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate","IUCrData","2020","5","6","x200788","","10.1107/S2414314620007889","","x-ray","0.56083","AgKα","","0.0606","0.0476","","","0.1275","0.1344","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:38",""
"1558330","9.9641","0.0009","10.2338","0.0009","23.541","0.002","90","","100.086","0.002","90","","2363.4","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-{4,6-dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","1","HB4350","Yoo, Miri; Koh, Dongsoo","(<i>E</i>)-3-{4,6-Dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one","IUCrData","2020","5","6","x200792","","10.1107/S2414314620007920","","","0.71073","MoKα","","0.1078","0.0458","","","0.0887","0.1121","","","","","","0.883","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558379","7.2747","0.0005","10.4927","0.0008","16.356","0.0012","97.735","0.002","102.84","0.002","102.607","0.002","1165.71","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[aqua(2,2'-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","- C48 H40 Co2 N8 O20 -","1","0.5","HB4348","Srinivasan, Bikshandarkoil R.; Harmalkar, Sarvesh S.; D'Souza, Luann R.; Dhuri, Sunder N.","Di-μ-aqua-bis[aqua(2,2′-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate)","IUCrData","2020","5","6","x200796","","10.1107/S2414314620007968","","","0.71073","MoKα","","0.0289","0.0251","","","0.0614","0.0637","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:38",""
"1558437","5.8686","0.0002","7.4955","0.0003","15.2792","0.0005","102.195","0.002","90.649","0.002","90.454","0.002","656.86","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","VM4044","Arunkumar, Dandavathi; Samshuddin, Seranthimata; Ansar, Mhammed; Mague, Joel T.; Ramli, Youssef","4-[(<i>E</i>)-3-(4-Methylphenyl)-3-oxoprop-1-en-1-yl]benzonitrile","IUCrData","2020","5","6","x200800","","10.1107/S2414314620008007","","","1.54178","CuKα","","0.0669","0.0593","","","0.1785","0.188","","","","","","1.085","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558456","16.01","0.0014","12.5361","0.0011","16.3086","0.0018","90","","90.041","0.008","90","","3273.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","","- C30 H39 B I3 N2 -","- C30 H39 B I3 N2 -","- C120 H156 B4 I12 N8 -","4","1","HB4351","Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael","[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate","IUCrData","2020","5","6","x200863","","10.1107/S2414314620008639","","","0.71073","MoKα","","0.1191","0.0944","","","0.2575","0.2669","","","","","","1.134","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558561","34.176","0.007","6.3699","0.0013","26.382","0.005","90","","123.428","0.006","90","","4793.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","","- C56 H20 F20 N4 Zn -","- C56 H20 F20 N4 Zn -","- C224 H80 F80 N16 Zn4 -","4","0.5","","Lin, Zeyuan; Li, Jianfeng","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]zinc(II) benzene disolvate","IUCrData","2020","5","7","x200877","","10.1107/S2414314620008779","","","0.71073","MoKα","","0.0454","0.0342","","","0.1095","0.1192","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","254207","2020-10-21","18:00:00",""
"1558562","9.74134","0.00005","9.83313","0.00004","14.91737","0.00006","90","","98.2662","0.0004","90","","1414.06","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","","- C16 H14 F N O3 -","- C16 H14 F N O3 -","- C64 H56 F4 N4 O12 -","4","2","WM4133","Lee, Kathleen S.; Turner, Luke; Powell, Cynthia B.; Reinheimer, Eric W.","(<i>S</i>)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid","IUCrData","2020","5","7","x200897","","10.1107/S2414314620008974","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0785","0.079","","","","","","1.054","","","","has coordinates,has disorder","301780","2025-08-18","21:43:39",""
"1558563","8.996","0.0018","15.921","0.003","18.297","0.004","90","","102.59","0.03","90","","2557.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","HB4349","Jiang, Hong; Li, Yu-Long; Zhou, Jin; Sun, Hong-Shun; Zhang, Qing-Yu; Shi, Xing-Hao; Zhang, Zhi-Yuan; Ling, Tian","Diethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2020","5","7","x200912","","10.1107/S2414314620009128","","","0.71073","MoKα","","0.3412","0.1426","","","0.2527","0.3063","","","","","","1.296","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558564","5.7173","0.0017","7.346","0.003","12.436","0.004","90","","93.07","0.03","90","","521.6","0.3","295","2","295.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","1","HB4353","Linkova, Elena I.; Grinev, Vyacheslav S.; Mayorova, Oksana A.; Yegorova, Alevtina Yu.","7a-Phenyltetrahydropyrrolo[2,1-<i>b</i>]oxazol-5(6<i>H</i>)-one","IUCrData","2020","5","7","x200919","","10.1107/S2414314620009190","","x-ray","0.71073","MoKα","","0.0937","0.054","","","0.123","0.1596","","","","","","1.061","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558565","7.2994","0.0002","9.6105","0.0003","23.9296","0.0008","90","","90","","90","","1678.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","ZQ4040","Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","IUCrData","2020","5","7","x200857","","10.1107/S2414314620008573","","","0.71073","MoKα","","0.0481","0.0377","","","0.0823","0.0876","","","","","","1.103","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"1558620","55.051","0.017","3.8355","0.0011","35.979","0.012","90","","125.214","0.006","90","","6207","3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","","- C17 H10 Br Cl2 N O2 -","- C17 H10 Br Cl2 N O2 -","- C272 H160 Br16 Cl32 N16 O32 -","16","2","VM4045","Mayorova, Oksana A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.","(<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one","IUCrData","2020","5","7","x200937","","10.1107/S2414314620009372","","","0.71073","MoKα","","0.1574","0.0919","","","0.1931","0.22","","","","","","1.057","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558621","23.6627","0.0012","23.6627","0.0012","10.9815","0.0006","90","","90","","120","","5325","0.5","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","","- C93 H138 I Mo3 N3 S13 -","- C93 H138 I Mo3 N3 S13 -","- C186 H276 I2 Mo6 N6 S26 -","2","0.333333","PK4027","Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P.","Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide","IUCrData","2020","5","7","x200939","","10.1107/S2414314620009396","","","0.71073","MoKα","","0.0427","0.0366","","","0.1004","0.1036","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","254399","2020-10-21","18:00:00",""
"1558656","12.6825","0.0008","8.3355","0.0005","7.2205","0.0005","90","","120.444","0.003","90","","658.07","0.08","302","2","302","2","","","","","","","","4","C 1 2 1","C 2y","5","","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]]","","- C8 H12 Cu3 N5 -","- C8 H12 Cu3 N5 -","- C16 H24 Cu6 N10 -","2","0.5","PK4028","Corfield, Peter W. R.; Stavola, Thomas James","Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid","IUCrData","2020","5","7","x200968","","10.1107/S2414314620009682","","","0.7107","MoKα","","0.0464","0.0308","","","0.0623","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","254476","2020-10-21","18:00:00",""
"1558657","9.8084","0.001","11.6806","0.0011","12.0754","0.0013","77.474","0.006","85.686","0.006","80.742","0.006","1331.8","0.2","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H26 Cl2 N2 O -","- C31 H26 Cl2 N2 O -","- C62 H52 Cl4 N4 O2 -","2","1","HB4352","Shraddha, K. N.; Begum, Noor Shahina","2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2020","5","7","x200870","","10.1107/S2414314620008706","","","0.71073","MoKα","","0.079","0.0634","","","0.1978","0.2212","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:39",""
"1558658","9.2324","0.0003","11.1656","0.0004","23.3497","0.0008","90","","90","","90","","2407.01","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","","- C25 H29 Cl N2 O7 -","- C25 H29 Cl N2 O7 -","- C100 H116 Cl4 N8 O28 -","4","1","BT4095","Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","IUCrData","2020","5","7","x200945","","10.1107/S2414314620009451","","","0.71073","MoKα","","0.0475","0.0381","","","0.1002","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558666","7.9004","0.0002","10.426","0.0003","10.5078","0.0003","99.903","0.002","104.93","0.002","110.061","0.003","752.55","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","","- C15 H12.5 Cu I N2.5 -","- C15 H12.5 Cu I N2.5 -","- C30 H25 Cu2 I2 N5 -","2","1","BH4052","Hoffman, Jessica L.; Akhigbe, Jessie E.; Reinheimer, Eric W.; Smucker, Bradley W.","Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)]","IUCrData","2020","5","7","x200998","","10.1107/S2414314620009980","","","0.71073","MoKα","","0.0542","0.0349","","","0.0817","0.0912","","","","","","1.031","","","","has coordinates,has Fobs","254587","2020-10-21","18:00:00",""
"1558687","13.1494","0.001","9.6899","0.0006","14.8185","0.0013","90","","113.295","0.006","90","","1734.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","GG4005","Detert, Heiner; Kluge, Laura; Schollmeyer, Dieter","Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate","IUCrData","2020","5","7","x201018","","10.1107/S2414314620010184","","","0.71073","MoKα","","0.1134","0.0719","","","0.1551","0.1845","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558688","6.1778","0.0003","7.77","0.0004","14.8862","0.0007","90","","95.935","0.004","90","","710.73","0.06","100.02","0.11","100.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","","- C8 H6 N6 Pt S4 -","- C8 H6 N6 Pt S4 -","- C16 H12 N12 Pt2 S8 -","2","0.5","BV4032","Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.","<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)","IUCrData","2020","5","7","x200980","","10.1107/S2414314620009803","","x-ray","0.71073","MoKα","","0.0202","0.0168","","","0.0373","0.0383","","","","","","1.046","","","","has coordinates,has Fobs","254648","2020-10-21","18:00:00",""
"1558724","9.8726","0.0004","15.8054","0.0007","11.8345","0.0004","90","","94.679","0.001","90","","1840.51","0.13","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","","- C21 H15 F N2 O4 S -","- C21 H15 F N2 O4 S -","- C84 H60 F4 N8 O16 S4 -","4","1","BT4093","Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya","3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one","IUCrData","2020","5","7","x201028","","10.1107/S2414314620010287","","","0.71073","MoKα","","0.0711","0.0439","","","0.0928","0.1098","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:39",""
"1558815","10.534","0.002","10.545","0.002","11.217","0.002","90","","90","","90","","1246","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Trichloridosulfonium(IV) hexachloridouranate(V)","Trichloridosulfonium(IV) hexachloridouranate(V)","","- Cl9 S U -","- Cl9 S U -","- Cl36 S4 U4 -","4","1","WM4134","Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian","Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~]","IUCrData","2020","5","7","x200960","","10.1107/S2414314620009608","","","0.71073","MoKα","","0.0201","0.0194","","","0.0432","0.0434","","","","","","1.08","","","","has coordinates,has Fobs","255164","2020-10-21","18:00:00",""
"1558816","7.191","0.005","8.698","0.005","10.987","0.005","112.289","0.005","92.827","0.005","101.656","0.005","616.7","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","- C18 H22 Cd N8 O12 -","1","0.5","WM4132","Ibragimov, Avazbek","Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","IUCrData","2020","5","7","x200843","","10.1107/S2414314620008433","","","1.54184","CuKα","","0.0342","0.0327","","","0.0846","0.0864","","","","","","1.06","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558818","7.8041","0.0006","22.8879","0.0016","25.267","0.0016","90","","90","","90","","4513.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","HB4356","Shripanavar, Chetan Shrimandhar; Butcher, Ray J.","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","IUCrData","2020","5","8","x201060","","10.1107/S2414314620010603","","","0.71073","MoKα","","0.1314","0.0688","","","0.1184","0.1356","","","","","","0.93","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558830","8.336","0.0002","10.178","0.0003","16.326","0.0004","82.284","0.002","76.557","0.002","87.081","0.002","1334.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","2","","Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A.","1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one","IUCrData","2020","5","8","x201005","","10.1107/S2414314620010056","","","0.71073","MoKα","","0.0723","0.0567","","","0.1687","0.1837","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558831","12.0239","0.0006","7.1317","0.0003","12.6836","0.0007","90","","101.104","0.004","90","","1067.27","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","","- C11 H16 N2 Se -","- C11 H16 N2 Se -","- C44 H64 N8 Se4 -","4","1","HB4354","Detert, Heiner; Schollmeyer, Dieter","<i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene","IUCrData","2020","5","8","x201081","","10.1107/S2414314620010810","","","0.71073","MoKα","","0.0385","0.0348","","","0.0927","0.0965","","","","","","1.099","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1558860","5.3477","0.0004","26.6084","0.0018","7.7367","0.0005","90","","106.715","0.002","90","","1054.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","","- C18 H22 Ca O12 -","- C18 H22 Ca O12 -","- C36 H44 Ca2 O24 -","2","0.5","HB4355","Camargo-Cortés, Esmit B.; Acosta, Mirna; Martínez, Juan C.; Pineda, Leslie W.","Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II)","IUCrData","2020","5","8","x201092","","10.1107/S2414314620010925","","","0.71073","MoKα","","0.0613","0.057","","","0.1318","0.1332","","","","","","1.385","","","","has coordinates,has Fobs","255344","2020-10-21","18:00:00",""
"1558931","6.7463","0.0003","9.036","0.0004","9.3954","0.0004","81.005","0.002","85.099","0.002","88.7","0.002","563.6","0.04","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C20 H22 N6 O12 -","2","1","HB4359","Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.","<i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide","IUCrData","2020","5","8","x201121","","10.1107/S2414314620011219","","","0.71073","MoKα","","0.0481","0.0375","","","0.1043","0.1111","","","","","","1.041","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559018","24.7168","0.0008","16.6156","0.0005","8.3805","0.0003","90","","90","","90","","3441.7","0.2","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","","- C10 H32 Cl2 N4 Ni O2 -","- C10 H32 Cl2 N4 Ni O2 -","- C80 H256 Cl16 N32 Ni8 O16 -","8","0.5","WM4136","Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","IUCrData","2020","5","9","x201182","","10.1107/S2414314620011827","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559019","5.5622","0.0007","18.891","0.002","9.6524","0.0013","90","","104.454","0.013","90","","982.1","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1<i>H</i>-indole-2-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","BH4054","Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W.","Ethyl 1<i>H</i>-indole-2-carboxylate","IUCrData","2020","5","9","x201205","","10.1107/S2414314620012055","","x-ray","0.71073","MoKα","","0.1062","0.0494","","","0.1134","0.1436","","","","","","1.009","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559020","7.4768","0.0003","16.219","0.0009","19.4101","0.001","90","","90","","90","","2353.8","0.2","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-Spirost-4-en-3,6-dione","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","ZQ4041","Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe","Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~","IUCrData","2020","5","9","x201200","","10.1107/S2414314620012006","","x-ray","0.56083","AgKα","","0.0694","0.0396","","","0.0825","0.0911","","","","","","0.884","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559021","12.71423","0.00013","17.04149","0.00018","26.1784","0.0003","90","","96.7054","0.0009","90","","5633.26","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","","- C116 H112 O16 Os4 P4 -","- C116 H112 O16 Os4 P4 -","- C232 H224 O32 Os8 P8 -","2","0.5","WM4137","Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W.","Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)","IUCrData","2020","5","9","x201204","","10.1107/S2414314620012043","","x-ray","1.54184","CuKα","","0.0284","0.0273","","","0.069","0.0697","","","","","","1.056","","","","has coordinates,has Fobs","256247","2020-10-21","18:00:00",""
"1559022","9.642","0.005","11.407","0.005","17.858","0.008","90","","103.606","0.005","90","","1909","1.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","HB4357","Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun","11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline","IUCrData","2020","5","9","x201213","","10.1107/S2414314620012134","","","0.71073","MoKα","","0.0616","0.0427","","","0.0975","0.1081","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559023","12.4519","0.0005","7.8785","0.0003","15.668","0.0007","90","","105.253","0.0016","90","","1482.92","0.11","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","HB4362","Sung, Jiha","3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2020","5","9","x201209","","10.1107/S2414314620012092","","","0.71073","MoKα","","0.06","0.0424","","","0.102","0.1126","","","","","","1.025","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559074","9.394","0.005","9.802","0.005","11.914","0.006","88.983","0.005","73.144","0.005","69.488","0.005","979","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","","- C27 H19 F2 N -","- C27 H19 F2 N -","- C54 H38 F4 N2 -","2","1","HB4358","Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang","6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine","IUCrData","2020","5","9","x201241","","10.1107/S2414314620012419","","","0.71073","MoKα","","0.081","0.0627","","","0.1751","0.1895","","","","","","1.057","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559075","7.725","0.003","12.721","0.003","14.609","0.004","70.67","0.03","82.88","0.03","80.46","0.03","1332.3","0.8","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","","- C28 H24 Co F6 Fe2 O6 -","- C28 H24 Co F6 Fe2 O6 -","- C56 H48 Co2 F12 Fe4 O12 -","2","1","HB4360","Wang, Shujing; Han, Heguo; Han, Yuyang","Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)","IUCrData","2020","5","9","x201240","","10.1107/S2414314620012407","","","1.54186","CuKα","","0.07","0.0485","","","0.1138","0.1273","","","","","","1.05","","","","has coordinates,has Fobs","256389","2020-10-21","18:00:00",""
"1559092","13.2096","0.0014","4.9765","0.0005","13.5673","0.0014","90","","98.603","0.002","90","","881.85","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidine–succinic acid (2/1)","","- C12 H16 Cl2 N8 O4 -","- C12 H16 Cl2 N8 O4 -","- C24 H32 Cl4 N16 O8 -","2","0.5","HB4365","Chakkarapani, Nandhini; Murugan, Suganya; Ibrahim, Abdul Razak; Kavitha, Savaridasan Jose; Hemamalini, Madhukar; Rajakannan, Venkatachalam","2,6-Diamino-4-chloropyrimidine–succinic acid (2/1)","IUCrData","2020","5","9","x201239","","10.1107/S2414314620012390","","","0.71073","MoKα","","0.0545","0.0434","","","0.1171","0.1282","","","","","","1.04","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559093","8.4636","0.0013","9.8402","0.0015","22.701","0.003","90","","105.917","0.005","90","","1818.1","0.5","296.15","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C20 H14 N6 -","- C20 H14 N6 -","- C80 H56 N24 -","4","1","HB4363","Cai, Changting; Lin, Bicheng; Wu, Wenxuan; Zhu, Qingwei","(3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile","IUCrData","2020","5","9","x201246","","10.1107/S2414314620012468","","","0.71073","MoKα","","0.0491","0.0419","","","0.1083","0.1141","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559124","16.7584","0.0015","13.6696","0.0014","16.0291","0.0017","90","","111.125","0.005","90","","3425.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","","- C40 H36 B2 N4 O5 -","- C40 H36 B2 N4 O5 -","- C160 H144 B8 N16 O20 -","4","1","HB4361","Mallard, Hannah H.; Kennedy, Nicholas D.; Rudman, Nathan A.; Greenwood, Alexa M.; Nicoleau, Jonathan; Angle, Corey E.; Torquato, Nicole A.; Gau, Micheal R.; Carroll, Patrick J.; Anstey, Mitchell R.","2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole]","IUCrData","2020","5","9","x201248","","10.1107/S2414314620012481","","","0.71073","MoKα","","0.0599","0.0387","","","0.0839","0.0927","","","","","","1.021","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559209","9.8291","0.0008","10.0499","0.0008","11.0308","0.0009","98.825","0.007","90.9","0.007","117.747","0.006","948.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","- C40 H24 Fe N14 -","1","0.5","IM4010","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; Al-Douh, Mohammed Hadi; Glidewell, Christopher","Bis[tris(pyridin-2-yl)amine]iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2020","5","9","x201278","","10.1107/S241431462001278X","","","0.71073","MoKα","","0.0994","0.0673","","","0.1495","0.1641","","","","","","0.961","","","","has coordinates,has Fobs","256799","2020-10-21","18:00:00",""
"1559210","8.2694","0.0003","21.1783","0.0008","10.705","0.0004","90","","111.117","0.001","90","","1748.89","0.11","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","PK4031","Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R.","10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate","IUCrData","2020","5","9","x201276","","10.1107/S2414314620012766","","","0.71073","MoKα","","0.0482","0.0365","","","0.0838","0.0897","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:39",""
"1559211","20.6543","0.0003","8.365","0.0001","17.5215","0.0003","90","","97.371","0.002","90","","3002.23","0.08","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","","- C26 H48 N4 Si3 -","- C26 H48 N4 Si3 -","- C104 H192 N16 Si12 -","4","1","IS4044","Mizuhata, Yoshiyuki; Iwai, Kento; Tokitoh, Norihiro","2,2-Bis[3,5-bis(dimethylamino)phenyl]-1,1,1,3,3,3-hexamethyltrisilane","IUCrData","2020","5","9","x201299","","10.1107/S2414314620012997","","","0.71073","MoKα","","0.0397","0.0325","","","0.0817","0.0863","","","","","","1.038","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559228","7.577","0.0006","7.6838","0.0006","10.2038","0.0008","101.843","0.006","90.893","0.006","104.642","0.006","561.11","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","","- C11 H17 Br O2 -","- C11 H17 Br O2 -","- C22 H34 Br2 O4 -","2","1","BT4098","Schollmeyer, Dieter; Heidrich, Maximilian; Detert, Heiner","<i>rac</i>-(<i>E</i>,<i>trans</i>)-4-Bromo-10,10-dimethyl-9,11-dioxabicyclo[6.3.0]undec-4-ene","IUCrData","2020","5","9","x201302","","10.1107/S2414314620013024","","","0.71073","MoKα","","0.0371","0.0337","","","0.0851","0.0871","","","","","","1.147","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:39",""
"1559229","7.655","0.0014","15.329","0.003","18.486","0.004","90","","92.088","0.007","90","","2167.8","0.7","98","","98","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C18 H13 Cl2 F3 N4 O3 S Zn -","- C72 H52 Cl8 F12 N16 O12 S4 Zn4 -","4","1","VM4046","Adrian, Rafael A.; Arman, Hadi D.","Chlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)zinc(II) acetonitrile monosolvate","IUCrData","2020","5","9","x201292","","10.1107/S2414314620012924","","","0.71075","MoKα","","0.0298","0.027","","","0.0736","0.0751","","","","","","1.053","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:50",""
"1559332","7.413","0.0008","9.2858","0.0007","10.1238","0.001","90","","102.841","0.01","90","","679.45","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyridine-4-carboxamidoxime <i>N</i>-oxide","(<i>Z</i>)-4-(<i>N</i>'-Hydroxycarbamimidoyl)pyridine <i>N</i>-oxide","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","BH4056","Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E.","Pyridine-4-carboxamidoxime <i>N</i>-oxide","IUCrData","2020","5","10","x201335","","10.1107/S2414314620013358","","x-ray","0.71073","MoKα","","0.0553","0.0392","","","0.0922","0.1009","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559333","24.7018","0.0006","6.3093","0.0001","13.2103","0.0003","90","","118.05","0.0008","90","","1817.01","0.07","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(Dimethylamino)benzohydrazide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","HB4366","Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","4-(Dimethylamino)benzohydrazide","IUCrData","2020","5","10","x201310","","10.1107/S2414314620013103","","","1.54178","CuKα","","0.0365","0.0363","","","0.098","0.0982","","","","","","1.067","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559354","12.1001","0.0019","13.3139","0.0018","13.4869","0.0012","62.471","0.009","63.694","0.007","87.388","0.011","1692.2","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","","- C15 H10 Cl N5 O6 Zn -","- C15 H10 Cl N5 O6 Zn -","- C60 H40 Cl4 N20 O24 Zn4 -","4","2","","Adrian, Rafael A.; Canales, Daniela; Arman, Hadi D.","(4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II)","IUCrData","2020","5","10","x201344","","10.1107/S2414314620013449","","","0.71073","MoKα","","0.0481","0.0427","","","0.104","0.1092","","","","","","1.014","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559391","6.3136","0.0002","11.6138","0.0005","12.633","0.0005","90","","95.292","0.003","90","","922.36","0.06","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","BT4099","Kotha, Sambasivarao; Ansari, Saima; Cheekatla, Subba Rao","7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","IUCrData","2020","5","10","x201380","","10.1107/S2414314620013802","","","0.71073","MoKα","","0.0551","0.0477","","","0.1075","0.1106","","","","","","1.096","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559407","6.5499","0.0003","7.6232","0.0003","25.6211","0.0011","90","","96.216","0.001","90","","1271.77","0.09","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-5-nitrobenzaldehyde(2'-hydroxy-5'-methylphenyl)imine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","HB4367","Böhme, Uwe; Fels, Sabine","6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one","IUCrData","2020","5","10","x201384","","10.1107/S241431462001384X","","","0.71073","MoKα","","0.0637","0.0412","","","0.099","0.1141","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:40",""
"1559408","25.006","0.002","5.0337","0.0006","8.5646","0.0006","90","","90","","90","","1078.05","0.17","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","(8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework","IUCrData","2020","5","10","x201391","","10.1107/S2414314620013917","","","0.71073","MoKα","","0.0743","0.0503","","","0.1204","0.1352","","","","","","0.908","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559417","17.7519","0.0011","30.485","0.0011","17.7526","0.0008","90","","91.061","0.001","90","","9605.5","0.8","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Al2.95 Cr0.59 -","- Al2.95407 Cr0.586161 -","- Al514.008 Cr101.992 -","174","21.75","WM4139","Geng, Xu; Wen, Bin; Fan, Changzeng","Crystal structure of Al2.95Cr0.59, a phase closely related to the η-phase in the binary Al–Cr system","IUCrData","2020","5","10","x201412","","10.1107/S2414314620014121","","","0.71073","MoKα","","0.0851","0.0444","","","0.0712","0.0809","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:51",""
"1559437","9.9429","0.0005","9.3845","0.0005","20.7845","0.0011","90","","91.55","0.002","90","","1938.67","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","HB4364","Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Tiekink, Edward R. T.","Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate","IUCrData","2020","5","10","x201228","","10.1107/S2414314620012286","","","0.71073","MoKα","","0.0785","0.049","","","0.1213","0.1403","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:40",""
"1559484","6.1056","0.0003","10.8114","0.0007","15.5867","0.0009","90","","90","","90","","1028.88","0.1","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","","- C8 H16 N2 Si -","- C8 H16 N2 Si -","- C32 H64 N8 Si4 -","4","1","SJ4215","Böhme, Uwe; Bitto, Florian","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","IUCrData","2020","5","11","x201444","","10.1107/S2414314620014443","","","0.71073","MoKα","","0.0313","0.0296","","","0.0786","0.0802","","","","","","1.091","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559529","16.2976","0.0008","6.1294","0.0002","12.2221","0.0006","90","","99.07","0.004","90","","1205.65","0.09","119.98","0.1","119.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(Naphthalen-2-yl)methyl]isothiouronium bromide","","- C12 H13 Br N2 S -","- C12 H13 Br N2 S -","- C48 H52 Br4 N8 S4 -","4","1","SJ4217","Eigner, Václav","Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide","IUCrData","2020","5","11","x201511","","10.1107/S2414314620015114","","x-ray","1.54184","CuKα","","0.0424","0.0304","","","0.0757","0.0806","","","","1.26","1.26","1.18","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559541","25.348","0.002","7.3059","0.0005","19.347","0.001","90","","94.19","0.006","90","","3573.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","TK4065","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine","IUCrData","2020","5","11","x201523","","10.1107/S2414314620015230","","","0.71073","MoKα","","0.0804","0.0469","","","0.0987","0.1127","","","","","","1.024","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559549","8.4257","0.0011","9.0522","0.0009","22.237","0.002","90","","98.303","0.012","90","","1678.3","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","BT4102","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","(<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide","IUCrData","2020","5","11","x201464","","10.1107/S2414314620014649","","x-ray","0.71073","MoKα","","0.1286","0.0694","","","0.1261","0.1654","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:40",""
"1559576","7.86","0.003","10.439","0.004","11.713","0.005","76.236","0.014","73.653","0.013","68.852","0.012","850.1","0.6","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium chloride","<i>N</i>-[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-aminium chloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ4218","Sammeta, Vamshikrishna Reddy; Rasapalli, Sivappa; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The hydrochloride salt of 4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (4-HO-DPT)","IUCrData","2020","5","11","x201546","","10.1107/S2414314620015461","","","0.71073","MoKα","","0.0617","0.0363","","","0.0955","0.1029","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559703","9.2554","0.0003","11.5721","0.0004","31.9214","0.001","90","","90","","90","","3418.92","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","","- C42 H37 N O2 -","- C42 H37 N O2 -","- C168 H148 N4 O8 -","4","1","SJ4216","Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R.","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","IUCrData","2020","5","12","x201576","","10.1107/S241431462001576X","","x-ray","0.71073","MoKα","","0.0973","0.0524","","","0.0976","0.1122","","","","","","1.007","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559755","7.535","0.0018","7.6723","0.0017","9.372","0.002","90.136","0.018","90.773","0.019","118.555","0.017","475.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C16 H16 N8 Se4 -","2","1","BT4104","Detert, Heiner; Schollmeyer, Dieter","5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene","IUCrData","2020","5","12","x201585","","10.1107/S2414314620015850","","","0.71073","MoKα","","0.0754","0.0649","","","0.1937","0.2166","","","","","","1.116","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559756","6.0147","0.0002","18.8172","0.0004","20.453","0.0005","90","","90","","90","","2314.87","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","HB4369","Sha, Fanrui; Johnson, Adam R.","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","IUCrData","2020","5","12","x201580","","10.1107/S2414314620015801","","x-ray","0.71073","MoKα","","0.0616","0.0448","","","0.0918","0.0979","","","","","","1.031","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559757","10.8217","0.0002","11.1644","0.0002","18.2804","0.0005","90","","90","","90","","2208.6","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ircinianin","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","BT4103","Majer, Thomas; Schollmeyer, Dieter; Koch, Pierre; Gross, Harald","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","IUCrData","2020","5","12","x201578","","10.1107/S2414314620015783","","","1.54186","CuKα","","0.033","0.032","","","0.0841","0.0856","","","","","","1.077","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559812","6.8203","0.0008","8.6934","0.001","15.865","0.002","90","","90","","90","","940.66","0.19","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl α-<i>L</i>-sorboside","","- C8 H16 O6 -","- C8 H16 O6 -","- C32 H64 O24 -","4","1","BV4033","Nagayama, Natsumi; Taniguchi, Norito; Matsumoto, Mao; Takeshita, Kei; Ishii, Tomohiko","Ethyl α-<small>L</small>-sorboside","IUCrData","2020","5","12","x201625","","10.1107/S2414314620016259","","","1.54187","CuKα","","0.0398","0.0366","","","0.0891","0.0904","","","","","","1.073","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559847","5.9196","0.0003","7.3562","0.0004","21.1126","0.0012","90","","90","","90","","919.36","0.09","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-<i>O</i>-Isopropylidene-β-D-<i>lyxo</i>-furanose","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","ZQ4044","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","0.71073","MoKα","","0.0566","0.0425","","","0.1004","0.1086","","","","","","1.028","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559848","5.9216","0.0003","7.3539","0.0004","21.1087","0.0012","90","","90","","90","","919.22","0.09","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","1.54178","CuKα","","0.0775","0.0303","","","0.0757","0.0895","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559865","9.5637","0.0003","9.5637","0.0003","36.3395","0.001","90","","90","","90","","3323.77","0.17","173","2","173.15","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","(+)-3-naphthoylcamphor","(1<i>R</i>,3<i>S</i>,4<i>R</i>)-1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","","- C21 H22 O2 -","- C21 H22 O2 -","- C168 H176 O16 -","8","1","BV4034","Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.","1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one","IUCrData","2020","5","12","x201662","","10.1107/S2414314620016624","","","1.54178","CuKα","","0.0455","0.0424","","","0.108","0.1102","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1565024","11.538","0.002","7.989","0.003","5.6504","0.0013","109.68","0.02","91.516","0.017","83.71","0.019","487.4","0.2","","","298","","","","100","","","","","5","P -1","-P 1","2","Ca2Cu(OH)4[B(OH)4]2","","henmilite","- B2 Ca2 Cu H12 O12 -","- B2 Ca2 Cu H12 O12 -","- B4 Ca4 Cu2 H24 O24 -","2","1","","Yamamoto, H.; Sakakura, T.; Jeschke, H.O.; Kabeya, N.; Hayashi, K.; Ishikawa, Y.; Fujii, Y.; Kishimoto, S.; Sagayama, H.; Shigematsu, K.; Azuma, M.; Ochiai, A.; Noda, Y.; Kimura, H.","Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite","Physical Review Materials","2021","5","","104405-1","104405-8","10.1103/PhysRevMaterials.5.104405","","","","","","","","","","","","","","","","","","","","","has coordinates","270051","2021-10-20","06:22:18",""
"1567248","7.908","0.007","7.441","0.008","9.88","0.009","90","","104.91","0.03","90","","561.8","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,7-Dihydro-5<i>H</i>-pyrrolo[1,2-<i>a</i>]imidazole","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","WM4129","Morales-Collazo, Oscar; Lynch, Vincent M.; Brennecke, Joan F.","6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole","IUCrData","2020","5","5","x200681","","10.1107/s2414314620006811","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1167","0.1231","","","","","","1.05","","","","has coordinates,has Fobs","276715","2022-07-06","23:15:17",""
"1569030","20.0701","0.0004","6.4604","0.0001","22.2814","0.0005","90","","107.245","0.002","90","","2759.15","0.1","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Gd K4 N7 O6 S7 -","- C7 H4 Gd K4 N7 O6 S7 -","- C28 H16 Gd4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0429","0.0439","","","","","","1.122","","","","has coordinates","283515","2023-05-05","10:40:31",""
"1569031","20.0808","0.0004","6.4405","0.0001","22.2609","0.0004","90","","107.379","0.002","90","","2747.58","0.09","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Dy K4 N7 O6 S7 -","- C7 H4 Dy K4 N7 O6 S7 -","- C28 H16 Dy4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0241","0.0187","","","0.041","0.0487","","","","","","1.16","","","","has coordinates","283516","2023-05-05","10:41:03",""
"1569032","20.0705","0.0005","6.4492","0.0001","22.255","0.0005","90","","107.304","0.003","90","","2750.28","0.11","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 K4 N7 O6 S7 Tb -","- C7 H4 K4 N7 O6 S7 Tb -","- C28 H16 K16 N28 O24 S28 Tb4 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0313","0.025","","","0.0615","0.0645","","","","","","1.072","","","","has coordinates","283517","2023-05-05","10:41:25",""
"1569033","16.1305","0.0005","8.6024","0.0003","7.3426","0.0002","90","","96.425","0.001","90","","1012.47","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Co O6 -","- C10 H8 Co O6 -","- C40 H32 Co4 O24 -","4","0.5","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","","0.56086","AgKα","","0.0238","0.0225","","","0.0584","0.0589","","","","","","1.118","","","","has coordinates","283518","2023-05-05","10:42:05",""
"1569034","8.833","0.003","9.691","0.003","18.674","0.006","98.274","0.007","93.305","0.01","107.308","0.009","1501.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Mg2 N2 O14 -","- C26 H30 Mg2 N2 O14 -","- C52 H60 Mg4 N4 O28 -","2","1","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","x-ray","0.71073","MoKα","","0.1208","0.0744","","","0.1448","0.1659","","","","","","1.032","","","","has coordinates","283519","2023-05-05","10:42:35",""
"1569277","6.0996","0.0004","9.0669","0.0008","13.1358","0.0007","92.931","0.003","92.212","0.005","91.885","0.006","724.53","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Br4 N4 Pb -","- C4 H10 Br4 N4 Pb -","- C8 H20 Br8 N8 Pb2 -","2","1","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.04","8.2","","","","","","","has coordinates","284350","2023-06-05","11:35:26",""
"1569278","9.0885","0.0001","9.0885","0.0001","13.8787","0.0001","90","","90","","120","","992.805","0.017","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br6 N3 Pb2 -","- C3 H10.5 Br6 N3.856 Pb2 -","- C6 H21 Br12 N7.712 Pb4 -","2","0.0833333","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.089","12.7","","","","","","","has coordinates","284351","2023-06-05","11:36:19",""
"1569437","11.2351","0.0002","14.8801","0.0002","12.565","0.0003","90","","103.108","0.002","90","","2045.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cd2 N8 O12 -","- C32 H36 Cd2 N8 O12 -","- C64 H72 Cd4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0549","0.0485","","","0.1667","0.1714","","","","","","1.084","","","","has coordinates","284986","2023-07-05","17:50:14",""
"1569438","7.4629","0.0002","24.0425","0.0006","18.6052","0.0004","90","","92.373","0.002","90","","3335.41","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cd Cl2 N8 O15 -","- C24 H30 Cd Cl2 N8 O15 -","- C96 H120 Cd4 Cl8 N32 O60 -","4","1","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.045","0.0344","","","0.097","0.1002","","","","","","1.048","","","","has coordinates","284987","2023-07-05","17:50:48",""
"1569439","7.5524","0.0001","12.9826","0.0002","16.088","0.0002","90","","92.296","0.001","90","","1576.16","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd Cl2 N8 O12 -","- C24 H24 Cd Cl2 N8 O12 -","- C48 H48 Cd2 Cl4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0457","0.0331","","","0.0918","0.0956","","","","","","1.076","","","","has coordinates","284988","2023-07-05","17:56:21",""
"2000132","14.226","0.002","15.117","0.002","17.557","0.002","90","","90","","90","","3775.71","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H98 Al24 N8 O129 P32 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","1","0.125","","Marler, Bernd; Patarin, Joel; Sierra, Ligia","Crystal structure of a novel porous MeAPO phase: ZAPO-M1, {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~]","Microporous Materials","1995","5","3","151","159","10.1016/0927-6513(95)00056-F","","","","","","","0.069","","","0.069","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2300524","13.52","","8.673","","4.74","","90","","90","","90","","555.807","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Sn2 P O4 Cl","","- Cl O4 P Sn2 -","- Cl O4 P Sn2 -","- Cl4 O16 P4 Sn8 -","4","0.5","","Berndt, A.F.; Sylvester, J.M.","Crystal data on tin(II) phosphate chloride, Sn2 P O4 Cl","Journal of Applied Crystallography","1972","5","","248","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310001","5.512","","5.512","","5.512","","90","","90","","90","","167.466","","","","993","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Uraninite","- O2 U -","- O2 U -","- O8 U4 -","4","0.0208333","","Thewlis, J.","An x-ray powder study of beta-uranium","Acta Crystallographica","1952","5","","790","794","10.1107/S0365110X52002136","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2310019","7.19","","4.4","","5.07","","90","","90.22","","90","","160.393","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Gold silver telluride (0.9/0.1/2)","","- Ag0.1 Au0.9 Te2 -","- Ag0.1 Au0.9 Te2 -","- Ag0.2 Au1.8 Te4 -","2","0.25","","Pauling, L.; Tunell, G.","The atomic arrangements and bonds of the gold-silver ditellurides","Acta Crystallographica (1,1948-23,1967)","1952","5","","375","381","10.1107/S0365110X52001106","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310022","3.925","","3.925","","3.238","","90","","90","","90","","49.883","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","Protactinium","","- Pa -","- Pa -","- Pa2 -","2","0.0625","","W. H. Zachariasen","Crystal chemical studies of the 5f - series of elements. XVI. Identification and crystal structure of protactinium metal and of protactinium monoxide","Acta Crystallographica","1952","5","","19","21","10.1107/S0365110X5200006X","","","","","","","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"2310192","8.74","","8.74","","4.95","","90","","90","","90","","378.119","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Mn12 Th -","- Mn12 Th -","- Mn24 Th2 -","2","0.0625","","Florio, J.V.; Rundle, R.E.; Snow, A.I.","Compounds of thorium with transition metals. I. The thorium-manganese system","Acta Crystallographica (1,1948-23,1967)","1952","5","","449","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310193","12.523","","12.523","","12.523","","90","","90","","90","","1963.93","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mn23 Th6 -","- Mn23 Th6 -","- Mn92 Th24 -","4","0.0208333","","Florio, J.V.; Rundle, R.E.; Snow, A.I.","Compounds of thorium with transition metals. I. The thorium-manganese system","Acta Crystallographica (1,1948-23,1967)","1952","5","","449","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310245","12.2836","","12.2836","","12.2836","","90","","90","","90","","1853.43","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Na Zn13 -","- Na Zn13 -","- Na8 Zn104 -","8","0.0416667","","Shoemaker, D.P.; Marsh, R.E.; Ewing, F.J.; Pauling, L.","Interatomic distances and atomic valences in Na Zn13","Acta Crystallographica (1,1948-23,1967)","1952","5","","637","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310317","5.0051","","3.2271","","5.277","","90","","90","","90","","85.234","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- Cd Mg -","- Cd Mg -","- Cd2 Mg2 -","2","0.25","","Steeple, H.","The crystal structure of the cadmium-magnesium alloy, Cd Mg","Acta Crystallographica (1,1948-23,1967)","1952","5","","247","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310478","12.49","","21.85","","4.41","","90","","90","","90","","1203.52","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","N2 H5 Cl","","- Cl H5 N2 -","- Cl H5 N2 -","- Cl16 H80 N32 -","16","1","","Sakurai, K.; Tomiie, Y.","The crystal structure of hydrazinium chloride, N~2~H~5~Cl","Acta Crystallographica (1,1948-23,1967)","1952","5","2","293","294","10.1107/S0365110X5200085X","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310732","4.325","","4.325","","8.317","","90","","90","","120","","134.732","","","","","","","","","","","","","2","P 31","P 31","144","","","","- B2 O3 -","- B2 O3 -","- B6 O9 -","3","1","","Berger, S.V.","The Crystal Structure of B2 O3","Acta Crystallographica (1,1948-23,1967)","1952","5","","389","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310753","14.71","","22.07","","4.08","","90","","90","","90","","1324.57","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(N H4)2 (Cu Cl3)","","- Cl3 Cu H8 N2 -","- Cl3 Cu N2 -","- Cl24 Cu8 N16 -","8","0.5","","Brink, C.; van Arkel, A.E.","The crystal structure of (N H4)2 Cu Cl3 and (N H4)2 Cu Br3","Acta Crystallographica (1,1948-23,1967)","1952","5","","506","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310754","19.52","","9.98","","4.74","","90","","90","","90","","923.398","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","K2 (Ag I3)","","- Ag I3 K2 -","- Ag I3 K2 -","- Ag4 I12 K8 -","4","0.5","","Brink, C.; Stenfert Kroese, H.A.","The crystal structure of K2 Ag I3 and isomorphous Substances","Acta Crystallographica (1,1948-23,1967)","1952","5","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310799","6.29","","4.5","","8.21","","90","","90","","90","","232.384","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- Cl2 -","- Cl2 -","- Cl8 -","4","","","Collin, R.L.","The crystal structure of solid chlorine","Acta Crystallographica (1,1948-23,1967)","1952","5","","431","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310830","7.16","","7.16","","5.38","","90","","90","","90","","275.809","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","","","- B5 H9 -","- B5 H9 -","- B10 H18 -","2","0.125","","Dulmage, W.J.; Lipscomb, W.N.","The Crystal and Molecular Structure of Pentaborane","Acta Crystallographica (1,1948-23,1967)","1952","5","","260","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310847","16.56","","3.15","","6.22","","90","","99.15","","90","","320.331","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Mg2 C O3 (O H)2 (H2 O)3","","- C H8 Mg2 O8 -","- C Mg2 O8 -","- C2 Mg4 O16 -","2","0.25","","de Wolff, P.M.","The Crystal Structure of Artinite, Mg2 C O3 (O H)2 (H2 O)3","Acta Crystallographica (1,1948-23,1967)","1952","5","","286","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310858","10.43","","6.02","","4.81","","90","","90","","90","","302.013","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Na2 Si O3","","- Na2 O3 Si -","- Na2 O3 Si -","- Na8 O12 Si4 -","4","0.5","","Grund, A.; Pizy, M.M.","Structure Cristalline du Metasilicate de Sodium Anhydre, Na2 Si O3","Acta Crystallographica (1,1948-23,1967)","1952","5","","837","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310865","7.15","","12.57","","13.05","","91.38","","75.5","","93.38","","1133.49","","","","","","","","","","","","","8","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Fe.7 Mn.3 Ca2 Al2 B Si4 O15 O H","","- Al2 B Ca2 Fe0.7 H Mn0.3 O16 Si4 -","- Al2 B Ca2 Fe0.7 Mn0.3 O16 Si4 -","- Al8 B4 Ca8 Fe2.8 Mn1.2 O64 Si16 -","4","","","Ito, T.; Takeuchi, Y.","The Crystal Structure of Axinite","Acta Crystallographica (1,1948-23,1967)","1952","5","","202","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310866","10.54","","10.54","","13.96","","90","","90","","120","","1343.07","","","","","","","","","","","","","7","P 6/m c c","-P 6 2c","192","","K2 Ca4 Be4 Al2 Si24 O60 H2 O","","- Al2 Be4 Ca4 H2 K2 O61 Si24 -","- Al1.98 Be4.02 Ca4 K2 O61 Si24 -","- Al1.98 Be4.02 Ca4 K2 O61 Si24 -","1","0.0416667","","Ito, T.; Sadanaga, R.; Morimoto, N.","The Crystal Structure of Milarite","Acta Crystallographica (1,1948-23,1967)","1952","5","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310869","4.716","","4.716","","4.394","","90","","90","","120","","84.633","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe3 N -","- Fe3 N -","- Fe6 N2 -","2","0.333333","","Jack, K.H.","The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides","Acta Crystallographica (1,1948-23,1967)","1952","5","","404","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310870","4.787","","4.787","","4.42","","90","","90","","120","","87.716","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe2 N -","- Fe2 N -","- Fe6 N3 -","3","0.5","","Jack, K.H.","The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides","Acta Crystallographica (1,1948-23,1967)","1952","5","","404","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310871","9.215","","9.215","","4.344","","90","","90","","120","","319.456","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe24 N10 -","- Fe24 N10 -","- Fe24 N10 -","1","0.166667","","Jack, K.H.","The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides","Acta Crystallographica (1,1948-23,1967)","1952","5","","404","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310872","7","","7","","25","","90","","90","","120","","1060.88","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Ca3 (Si O4) O","","- Ca3 O5 Si -","- Ca3 O5 Si -","- Ca27 O45 Si9 -","9","0.5","","Jeffery, J.W.","The crystal structure of tricalcium silicate","Acta Crystallographica (1,1948-23,1967)","1952","5","","26","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310875","8.86","","7.8","","9.35","","90","","93.5","","90","","644.955","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba (Cl O3)2 (H2 O)","","- Ba Cl2 H2 O7 -","- Ba Cl2 H2 O7 -","- Ba4 Cl8 H8 O28 -","4","0.5","","Kartha, G.","Structure of barium chlorate monohydrate, Ba (Cl O3)2 H2 O","Acta Crystallographica (1,1948-23,1967)","1952","5","","845","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310876","10.84","","10.84","","10.84","","90","","90","","90","","1273.76","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ni (C O)4","","- C4 Ni O4 -","- C4 Ni O4 -","- C32 Ni8 O32 -","8","0.333333","","Ladell, J.; Post, B.; Fankuchen, I.","The Crystal Structure of Nickel Carbonyl, Ni (C O)4","Acta Crystallographica (1,1948-23,1967)","1952","5","","795","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310918","7.1","","7.1","","16.95","","90","","90","","90","","854.449","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","K4 Ru2 Cl10 O (H2 O)","","- Cl10 H2 K4 O2 Ru2 -","- Cl10 K4 O2 Ru2 -","- Cl20 K8 O4 Ru4 -","2","0.0625","","Mathieson, A.M.; Stephenson, N.C.; Mellor, D.P.","The Crystal Structure of Potassium Hydroxy - Chlororuthenate, K4 Ru2 Cl10 O (H2 O)","Acta Crystallographica (1,1948-23,1967)","1952","5","","185","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310921","5.439","","4.487","","6.761","","90","","90","","90","","165.001","","","","","","","","","","","","","4","P 2 m m","P -2 2","25","","Hg N H2 Br","","- Br H2 Hg N -","- Br Hg N -","- Br2 Hg2 N2 -","2","0.5","","Nijssen, L.; Lipscomb, W.N.","The Structure of Mercuric Amidobromide","Acta Crystallographica (1,1948-23,1967)","1952","5","","604","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310924","5.48","","6.76","","9.28","","90","","85.45","","90","","342.692","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ca2 (Si O4)","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca8 O16 Si4 -","4","1","","Midgley, C.M.","The crystal structure of beta dicalcium silicate","Acta Crystallographica (1,1948-23,1967)","1952","5","","307","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310932","3.079","","3.079","","20.146","","90","","90","","120","","165.401","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Si C","","- C Si -","- C Si -","- C8 Si8 -","8","0.666667","","Ramsdell, L.S.; Kohn, J.A.","Developments in silicon carbide research","Acta Crystallographica (1,1948-23,1967)","1952","5","","215","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310933","3.079","","3.079","","67.99599","","90","","90","","120","","558.256","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C27 Si27 -","27","1.5","","Ramsdell, L.S.; Kohn, J.A.","Developments in silicon carbide research","Acta Crystallographica (1,1948-23,1967)","1952","5","","215","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310934","3.079","","3.079","","128.437","","90","","90","","120","","1054.48","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C51 Si51 -","51","2.83333","","Ramsdell, L.S.; Kohn, J.A.","Developments in silicon carbide research","Acta Crystallographica (1,1948-23,1967)","1952","5","","215","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310935","3.079","","3.079","","189.259","","90","","90","","120","","1553.84","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C75 Si75 -","75","4.16667","","Ramsdell, L.S.; Kohn, J.A.","Developments in silicon carbide research","Acta Crystallographica (1,1948-23,1967)","1952","5","","215","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310936","3.079","","3.079","","211.543","","90","","90","","120","","1736.8","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C84 Si84 -","84","4.66667","","Ramsdell, L.S.; Kohn, J.A.","Development in silicon carbide research","Acta Crystallographica (1,1948-23,1967)","1952","5","","215","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310939","4.1","","4.1","","5.03","","90","","90","","90","","84.554","","","","","","","","","","","","","2","I 4","I 4","79","","Th H2","","- H2 Th -","- H2 Th -","- H4 Th2 -","2","0.25","","Rundle, R.E.; Shull, C.G.; Woolan, E.O.","The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1952","5","","22","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310940","3.52","","3.52","","4.449","","90","","90","","90","","55.125","","","","","","","","","","","","","2","I 4","I 4","79","","Zr H2","","- H2 Zr -","- H2 Zr -","- H4 Zr2 -","2","0.25","","Rundle, R.E.; Shull, C.G.; Wollan, E.O.","The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1952","5","","22","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310941","12.85","","4.54","","11.94","","90","","110.27","","90","","653.43","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N2 H5 Br","","- Br H5 N2 -","- Br H5 N2 -","- Br8 H40 N16 -","8","1","","Sakurai, K.; Tomiie, Y.","The Crystal Structure of Hydrazinium Bromide, N2 H5 Br","Acta Crystallographica (1,1948-23,1967)","1952","5","2","289","289","10.1107/S0365110X52000812","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310962","5.715","","5.715","","4.656","","90","","90","","120","","131.697","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 Ti F6","","- F6 K2 Ti -","- F6 K2 Ti -","- F6 K2 Ti -","1","0.0833333","","Siegel, S.","The Crystal Structure of K2 Ti F6","Acta Crystallographica (1,1948-23,1967)","1952","5","","683","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310976","4.99","","3.72","","7.06","","90","","90","","90","","131.053","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni2 Si -","- Ni2 Si -","- Ni8 Si4 -","4","0.5","","Toman, K.","The structure of Ni2 Si","Acta Crystallographica (1,1948-23,1967)","1952","5","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310979","12.1","","3.12","","9.36","","90","","104.33","","90","","342.364","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Mg2 (B2 O5)","","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B8 Mg8 O20 -","4","1","","Takeuchi, Y.","The crystal structure of magnesium pyroborate","Acta Crystallographica (1,1948-23,1967)","1952","5","","574","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310985","7.06","","4.99","","3.72","","90","","90","","90","","131.053","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Ni2 Si -","- Ni2 Si -","- Ni8 Si4 -","4","0.5","","Toman, K.","The structure of Ni2 Si","Acta Crystallographica (1,1948-23,1967)","1952","5","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310986","3.805","","3.805","","4.89","","90","","90","","120","","61.312","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni2 Si -","- Ni2 Si -","- Ni4 Si2 -","2","0.0833333","","Toman, K.","The structure of Ni2 Si","Acta Crystallographica (1,1948-23,1967)","1952","5","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310987","12.38","","12.38","","12.38","","90","","90","","90","","1897.41","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- K Zn13 -","- K Zn13 -","- K8 Zn104 -","8","0.0416667","","Shoemaker, D.P.; Marsh, R.E.; Ewing, F.J.; Pauling, L.","Interatomic distances and atomic valences in Na Zn3","Acta Crystallographica (1,1948-23,1967)","1952","5","","637","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310989","8.96","","4.49","","14.62","","90","","145.43","","90","","333.734","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Au Ag Te4","","- Ag Au Te4 -","- Ag Au Te4 -","- Ag2 Au2 Te8 -","2","0.5","","Tunell, G.; Pauling, L.","The atomic arrangements and bonds of the gold-silver ditellurides","Acta Crystallographica (1,1948-23,1967)","1952","5","","375","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311016","5.06","","2.91","","9.55","","90","","100.5","","90","","138.265","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Li0.32 Al0.68) Mn O2 (O H)2","","- Al0.68 H2 Li0.32 Mn O4 -","- Al0.68 Li0.32 Mn O4 -","- Al1.36 Li0.64 Mn2 O8 -","2","0.25","","Wadsley, A.D.","The structure of lithiophorite, (Al, Li) Mn O2 (O H)2","Acta Crystallographica (1,1948-23,1967)","1952","5","","676","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311025","8.129","","8.129","","8.129","","90","","90","","90","","537.17","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Pu2 C3","","- C3 Pu2 -","- C3 Pu2 -","- C24 Pu16 -","8","0.166667","","Zachariasen, W.H.","Crystal chemical studies of the 5f - series of elements. XV. The crystal structure of plutonium sesquicarbide","Acta Crystallographica (1,1948-23,1967)","1952","5","","17","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","169097","2020-10-21","18:00:00",""
"2311026","4.961","","4.961","","4.961","","90","","90","","90","","122.098","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pa O","","- O Pa -","- O Pa -","- O4 Pa4 -","4","0.0208333","","Zachariasen, W.H.","Crystal chemical studies of the 5f - series of elements. XVI. identification and crystal structure of protactinium metal and of protactinium monoxide","Acta Crystallographica (1,1948-23,1967)","1952","5","","19","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311035","15.82","","15.82","","5.72","","90","","90","","90","","1431.56","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","C O Cl2","","- C Cl2 O -","- C Cl2 O -","- C16 Cl32 O16 -","16","1","","Zaslow, B.; Atoji, M.; Lipscomb, W.N.","The Crystal Structure of Phosgene, C O Cl2","Acta Crystallographica (1,1948-23,1967)","1952","5","","833","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:02",""
"4001731","8.212","","9.11","","7.314","","97.82","","111.72","","72","","483.298","","","","","","","","","","","","","4","P -1","-P 1","2","","K2 (Au2 Sn S4)","","- Au2 K2 S4 Sn -","- Au2 K2 S4 Sn -","- Au4 K4 S8 Sn2 -","2","1","","Kanatzidis, M.G.; Liao, J.-H.","Quaternary Rb2Cu2SnS4,A2Cu2Sn2S6 (A=Na,K,Rb,Cs), A2Cu2Sn2Se6 (A=K,Rb), K2Au2SnS4 and K2Au2Sn2S6. Syntheses, structures and properties of new solid-state chalcogenides based on tetrahedral (SnS4)(4-) units","Chemistry of Materials (1,1989-)","1993","5","","1561","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001732","7.968","","7.968","","19.2","","90","","90","","90","","1218.99","","","","","","","","","","","","","4","P 4/m c c","-P 4 2c","124","","K2 (Au2 Sn2 S6)","","- Au2 K2 S6 Sn2 -","- Au2 K2 S6 Sn2 -","- Au8 K8 S24 Sn8 -","4","0.25","","Kanatzidis, M.G.; Liao, J.-H.","Quaternary Rb2 Cu2 SnS4, A2 Cu2 Sn2 S6 (A= Na, K, Rb, Cs), A2 Cu2 Sn2 Se6 (A= K, Rb), K2 Au2 SnS4 and K2 Au2 Sn2 S6. Syntheses, structures and properties of new solid-state chalcogenides based on tetrahedral (Sn S4)(4-) units","Chemistry of Materials (1,1989-)","1993","5","","1561","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002687","6.863","0.002","13.479","0.005","7.505","0.001","90","","111.02","0.01","90","","648.1","0.3","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O6 P V -","- K2 O6 P V -","- K8 O24 P4 V4 -","4","1","","Korthuis, V. C.; Hoffmann, R. D.; Huang, Jinfan; Sleight, A. W.","Synthesis and crystal structure of potassium and sodium vanadium phosphates","Chemistry of Materials","1993","5","","206","209","10.1021/cm00026a009","","x-ray","0.71069","MoKα","","","0.047","","","0.072","","","","","","","","","","","has coordinates","188373","2020-10-21","18:00:00",""
"4002688","6.1805","0.0007","12.436","0.001","7.386","0.001","90","","107","0.01","90","","542.89","0.11","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Na2 O6 P V -","- Na2 O6 P V -","- Na8 O24 P4 V4 -","4","1","","Korthuis, V. C.; Hoffmann, R. D.; Huang, Jinfan; Sleight, A. W.","Synthesis and crystal structure of potassium and sodium vanadium phosphates","Chemistry of Materials","1993","5","","206","209","10.1021/cm00026a009","","x-ray","0.71069","MoKα","","","0.03","","","0.045","","","","","","","","","","","has coordinates","188374","2020-10-21","18:00:00",""
"4029735","11.866","0.0003","13.8803","0.0004","20.4843","0.0005","78.2372","0.0016","78.1856","0.0017","84.2881","0.0008","3227.13","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N8 O13 Zn -","- C54 H36 N8 O13 Zn -","- C108 H72 N16 O26 Zn2 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Versatile supramolecular reactivity of zinc-tetra(4-pyridyl)porphyrin in crystalline solids: Polymeric grids with zinc dichloride and hydrogen-bonded networks with mellitic acid.","Beilstein journal of organic chemistry","2009","5","","77","","10.3762/bjoc.5.77","","","0.71073","MoKα","","0.0924","0.0598","","","0.1553","0.1672","","","","","","0.96","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029742","19.1157","0.0002","12.9275","0.0002","21.8495","0.0002","90","","103.396","0.0006","90","","5252.51","0.11","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 Cl14 N8 Zn2 -","- C46 H30 Cl14 N8 Zn2 -","- C184 H120 Cl56 N32 Zn8 -","4","1","","Lipstman, Sophia; Goldberg, Israel","Versatile supramolecular reactivity of zinc-tetra(4-pyridyl)porphyrin in crystalline solids: Polymeric grids with zinc dichloride and hydrogen-bonded networks with mellitic acid.","Beilstein journal of organic chemistry","2009","5","","77","","10.3762/bjoc.5.77","","","0.71073","MoKα","","0.0988","0.0646","","","0.1795","0.1997","","","","","","1.058","","","","has coordinates,has disorder","178476","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","301812","2025-08-19","20:48:34",""
"4029753","3.9971","0.0016","10.334","0.004","31.473","0.013","90","","90","","90","","1300","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C72 H40 S8 -","4","1","","Wang, Zhihua; Zhu, Sheng; Shi, Jianwu; Wang, Hua","The efficient synthesis of dibenzo[d,d']benzo[1,2-b:4,3-b']dithiophene and cyclopenta[1,2-b:4,3-b']bis(benzo[d]thiophen)-6-one.","Beilstein journal of organic chemistry","2009","5","","55","","10.3762/bjoc.5.55","","","0.71073","MoKα","","0.0395","0.0335","","","0.076","0.0846","","","","","","1.042","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029758","7.3616","0.0001","32.8092","0.0004","12.0824","0.0002","90","","102.896","0.001","90","","2844.63","0.07","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N5 O7 -","- C29 H35 N5 O7 -","- C116 H140 N20 O28 -","4","1","","Schmaderer, Harald; Bhuyan, Mouchumi; König, Burkhard","Synthesis of rigidified flavin-guanidinium ion conjugates and investigation of their photocatalytic properties.","Beilstein journal of organic chemistry","2009","5","","26","","10.3762/bjoc.5.26","","x-ray","1.54184","CuKα","","0.0854","0.0721","","","0.1922","0.2017","","","","","","1.091","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029762","10.6278","0.0004","11.8039","0.0006","12.8185","0.0005","84.158","0.004","81.21","0.004","71.668","0.004","1506.06","0.12","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C29 H37 N5 O7 S -","- C29 H37 N5 O7 S -","- C58 H74 N10 O14 S2 -","2","1","","Schmaderer, Harald; Bhuyan, Mouchumi; König, Burkhard","Synthesis of rigidified flavin-guanidinium ion conjugates and investigation of their photocatalytic properties.","Beilstein journal of organic chemistry","2009","5","","26","","10.3762/bjoc.5.26","","x-ray","1.54184","CuKα","","0.0765","0.0655","","","0.1783","0.1888","","","","","","1.039","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029770","12.4965","0.0002","13.0048","0.0002","18.7848","0.0003","90","","106.648","0.0017","90","","2924.84","0.08","123","","123","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Cl N8 O6 -","- C29 H39 Cl N8 O6 -","- C116 H156 Cl4 N32 O24 -","4","1","","Schmaderer, Harald; Bhuyan, Mouchumi; König, Burkhard","Synthesis of rigidified flavin-guanidinium ion conjugates and investigation of their photocatalytic properties.","Beilstein journal of organic chemistry","2009","5","","26","","10.3762/bjoc.5.26","","x-ray","1.54184","CuKα","","0.0733","0.0586","","","0.1651","0.1742","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4037585","7.8259","0.0006","9.5135","0.0008","22.647","0.0018","90","","90","","90","","1686.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Li, Renhe; Liu, Feipeng; Dong, Guangbin","Palladium-catalyzed asymmetric annulation between aryl iodides and racemic epoxides using a chiral norbornene cocatalyst.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","21","3108","3112","10.1039/c8qo00808f","","","0.71073","MoKα","","0.035","0.0304","","","0.0758","0.0771","","","","","","1.044","","","","has coordinates","301828","2025-08-20","10:33:20",""
"4037586","7.9608","0.0008","9.005","0.0009","11.9856","0.0012","90","","105.827","0.002","90","","826.64","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C36 H50 N2 O6 S2 -","2","1","","Li, Renhe; Liu, Feipeng; Dong, Guangbin","Palladium-catalyzed asymmetric annulation between aryl iodides and racemic epoxides using a chiral norbornene cocatalyst.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","21","3108","3112","10.1039/c8qo00808f","","x-ray","0.71073","MoKα","","0.0478","0.0393","","","0.0827","0.0864","","","","","","1.053","","","","has coordinates","301828","2025-08-20","10:33:20",""
"4037587","9.9","0.003","34.441","0.01","9.602","0.003","90","","116.727","0.01","90","","2924.2","1.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","VCl244","","","- C33 H35 N O6 -","- C33 H35 N O6 -","- C132 H140 N4 O24 -","4","1","","Capaccio, Vito; Zielke, Katharina; Eitzinger, Andreas; Massa, Antonio; Palombi, Laura; Faust, Kirill; Waser, Mario","Asymmetric phase-transfer catalysed β-addition of isoxazolidin-5-ones to MBH carbonates.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","22","3336","3340","10.1039/C8QO01057A","","","0.71073","MoKα","","0.1712","0.0858","","","0.1442","0.1736","","","","","","1.115","","","","has coordinates","301828","2025-08-20","10:33:20",""
"4344121","9.6445","","9.6445","","9.6445","","90","","90","","90","","897.096","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K2 Mn Cl6","","- Cl6 K2 Mn -","- Cl6 K2 Mn -","- Cl24 K8 Mn4 -","4","0.0208333","","Moews, P.C.","The Crystal Structure, Visible and Ultraviolet Spectra of Potassium Hexachloromanganate(IV)","Inorganic Chemistry","1966","5","","5","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344133","10.26","","13.272","","7.174","","90","","90","","90","","976.889","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","K2 (Sn0.25 Zr0.75) (Si3 O9) (H2 O)","","- H2 K2 O10 Si3 Sn0.25 Zr0.75 -","- K2 O10 Si3 Sn0.25 Zr0.75 -","- K8 O40 Si12 Sn Zr3 -","4","1","","Pertierra, P.; Garcia, J.R.; Salvado, M.A.; Garcia-Granda, S.; Bortun, A.I.; Khainakov, S.A.","Hydrothermal synthesis and structural characterization of frameworkmicroporous mixed tin-zirconium silicates with the structure of umbite","Inorganic Chemistry Communications","2002","5","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","157557","2020-10-21","18:00:00",""
"4344134","10.5","","13.354","","7.2731","","90","","90","","90","","1019.81","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Na2 (Sn0.25 Zr0.75) (Si3 O9) (H2 O)","","- H2 Na2 O10 Si3 Sn0.25 Zr0.75 -","- Na2 O10 Si3 Sn0.25 Zr0.75 -","- Na8 O40 Si12 Sn Zr3 -","4","1","","Pertierra, P.; Salvado, M.A.; Garcia-Granda, S.; Garcia, J.R.; Bortun, A.I.; Khainakov, S.A.","Hydrothermal synthesis and structural characterization of frameworkmicroporous mixed tin-zirconium silicates with the structure of umbite","Inorganic Chemistry Communications","2002","5","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","157559","2020-10-21","18:00:00",""
"4344139","4.9751","","4.9751","","22.5983","","90","","90","","120","","484.407","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Sn (H P O4)2) (N H3)0.4 (H2 O)0.6","","- H4.4 N0.4 O8.6 P2 Sn -","- N0.4 O8.6 P2 Sn -","- N1.2 O25.8 P6 Sn3 -","3","0.166667","","Roces, L.; Khainakov, S.A.; Garcia-Granda, S.; Pertierra, P.; Garcia, J.R.; Salvado, M.A.","Hydrothermal synthesis and X-ray powder structure determination of a novel layered tin(IV) phosphate, Sn (H P O4)2 * (N H3)0.4 (H2 O)0.6","Inorganic Chemistry Communications","2002","5","","685","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344153","9.501","","6.4129","","7.6581","","90","","116.04","","90","","419.234","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Na0.5 Fe H1.5 Mo O5)","","- Fe H1.5 Mo Na0.5 O5 -","- Fe Mo Na0.5 O5 -","- Fe4 Mo4 Na2 O20 -","4","0.5","","Chu De-Qing; Pan Chengling; Duan Limei; Yu Ji-Hui; Xu Jiqing; Wang Limin; Wang Tiegang","The synthesis and structural characterization of a novel layered compound (Na0.5 Fe Mo H1.5 O5)n","Inorganic Chemistry Communications","2002","5","","989","992","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344180","5.63591","","5.63591","","16.2843","","90","","90","","120","","447.948","","","","","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","(La1.8 Ba0.8 Sr0.4) (Mn2 O9) ((Ca0.8 La0.1 Sr0.1)2 O)","","- Ba0.8 Ca1.6 La2 Mn2 O10 Sr0.6 -","- Ba0.8 Ca1.6 La2 Mn2 O10.002 Sr0.6 -","- Ba1.6 Ca3.2 La4 Mn4 O20.004 Sr1.2 -","2","0.0833333","","Bie Lijian; Wang Yingxia; Lin Jianhua; Loong Chun-K","n=2 member of the hexagonal perovskite-intergrowth manganate family An+1 Mnn O3n+3 (Ca2 O)","Inorganic Chemistry Communications","2002","5","","966","970","","","","","","","","","","","","","","","","","","","","","","has coordinates","160049","2020-10-21","18:00:00",""
"4344200","9.36","","9.36","","8.8","","90","","90","","120","","667.675","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ta6 Cl14 (H2 O)7","","- Cl14 H14 O7 Ta6 -","- Cl14.001 O6.996 Ta6 -","- Cl14.001 O6.996 Ta6 -","1","0.0833333","","Burbank, R.D.","Crystallographic Evidence for Nonequivalent Ligand Fields in Tantalum Subchloride","Inorganic Chemistry","1966","5","","1491","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344243","15.8132","","15.8132","","11.1114","","90","","90","","90","","2778.49","","","","","","","","","","","","","3","I -4","I -4","82","","((V O4) W8 (V.71 W.29)4 O36 (V O)2 ) (H2 O)20 (N H4)5.3","","- O62 V5.8 W9.188 -","- O62 V5.8 W9.188 -","- O124 V11.6 W18.376 -","2","0.25","","Shivaiah, V.; Hajeebu, S.; Das, S.K.","The first one-dimensional heteropoly tungstovanadate coordination polymer: [(V(V) O4) W(VI)8 M4 O36 (V (IV) O)2]n- (M = 0.71V(IV) + 0.29 W(VI), n=4.68)","Inorganic Chemistry Communications","2002","5","","996","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","161897","2020-10-21","18:00:00",""
"4344250","12.713","","18.955","","20.922","","77.55","","76.29","","81.7","","4759.68","","","","","","","","","","","","","7","P -1","-P 1","2","","K4 Na6 (Ti2 W10 P O39)2 (H2 O)14","","- H28 K4 Na6 O92 P2 Ti4 W20 -","- K4 Na6 O92 P2 Ti4 W20 -","- K8 Na12 O184 P4 Ti8 W40 -","2","1","","He, J.-H.; Hu, N.-H.; Wang, X.H.; Chen Ya-Guang; Liu, J.-F.; Jia, H.-Q.","Synthesis and crystal structure of the dimeric, Ti - O - Ti bridged hydrid form polyoxoanion (alpha-1, 2-(P W10 Ti2 O39))2(10-)","Inorganic Chemistry Communications","2002","5","","796","799","","","","","","","","","","","","","","","","","","","","","","has coordinates","162394","2020-10-21","18:00:00",""
"4344264","11.65","","14.06","","6.03","","90","","90","","90","","987.708","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Tc Cl4","","- Cl4 Tc -","- Cl4 Tc -","- Cl32 Tc8 -","8","1","","Elder, M.; Penfold, B.R.","The Crystal Structure of Technetium(IV) Chloride. A New AB4 Structure","Inorganic Chemistry","1966","5","","1197","1200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344268","10.778","","11.146","","8.774","","104.956","","109.536","","65","","891.835","","","","","","","","","","","","","5","P -1","-P 1","2","","K2 Zn2 V10 O28 (H2 O)16","","- H32 K2 O44 V10 Zn2 -","- K2 O44 V10 Zn2 -","- K2 O44 V10 Zn2 -","1","0.5","","Evans, H.T.jr.","The molecular structure of the isopoly complex ion, decavanadate (V10 O28)","Inorganic Chemistry","1966","5","","967","977","","","","","","","","","","","","","","","","","","","","","","has coordinates","163668","2020-10-21","18:00:00",""
"4344290","21.6461","","11.4132","","34.1172","","90","","91.305","","90","","8426.51","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K (Mo8 S8 O8 (O H)7 (N2 H4)2 (Mo O4)) (H2 O)16","","- K Mo9 N4 O30 S8 -","- K Mo9 N4 O30 S8 -","- K8 Mo72 N32 O240 S64 -","8","1","","du Peloux, C.; Dolbecq, A.; Secheresse, F.","Synthesis and structure of an octanuclear oxothiomolybdenum(V) wheel with bridging hydrazine ligands encapsulating a central Mo(VI) O4 tetrahedron, (Mo(V)8 S8 O8 (O H)7 (N2 H4)2 Mo(VI) O4)(-)","Inorganic Chemistry Communications","2002","5","","333","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344301","7.986","","17.289","","7.4","","90","","90","","90","","1021.72","","","","","","","","","","","","","5","C m c m (c,b,-a)","-C 2c 2 (z,y,-x)","63","","Cs2 Ru Cl5 (H2 O)","","- Cl5 Cs2 H2 O Ru -","- Cl5 Cs2 O Ru -","- Cl20 Cs8 O4 Ru4 -","4","","","Hopkins, E.H.; Adamson, M.G.; Zalkin, A.; Templeton, D.H.","The Crystal Structure of Cesium Aquopentachlororuthenate","Inorganic Chemistry","1966","5","","1431","1433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344310","10.66","","10.66","","21.52","","90","","90","","90","","2445.44","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","(N H4)4 (Sb2 Br12)","","- Br12 H16 N4 Sb2 -","- Br12 H16 N4 Sb2 -","- Br48 H64 N16 Sb8 -","4","0.125","","Lawton, S.L.; Jacobson, R.A.","The crystal structure of ammonium hexabromoantimonate, (N H4)4 Sb(III) Sb(V) Br12","Inorganic Chemistry","1966","5","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4344328","12.939","","3.437","","6.142","","90","","116.8","","90","","243.804","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ni Se4 V2 -","- Ni Se4 V2 -","- Ni2 Se8 V4 -","2","0.25","","Bouchard, R.J.; Robinson, W.T.; Wold, A.","Structure and properties of nickel vanadium selenide, Ni V2 Se4","Inorganic Chemistry","1966","5","","977","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4349734","5.81","0.005","12.77","0.005","12.865","0.005","84.543","0.005","81.308","0.005","78.412","0.005","922.2","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H16 Cl2 I N4 O P Pt -","- C15 H16 Cl2 I N4 O P Pt -","- C30 H32 Cl4 I2 N8 O2 P2 Pt2 -","2","1","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71069","MoKα","","0.0348","0.0288","","","0.0544","0.058","","","","","","1.022","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349735","9.4359","0.0006","6.7378","0.0004","10.5414","0.0005","90","","97.352","0.005","90","","664.68","0.07","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 Cl N2 O4 Pt S -","- C11 H11 Cl N2 O4 Pt S -","- C22 H22 Cl2 N4 O8 Pt2 S2 -","2","0.5","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71073","MoKα","","0.0429","0.0384","","","0.0814","0.0833","","","","","","1.103","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349736","19.3571","0.0007","6.8349","0.0003","25.199","0.001","90","","95.245","0.004","90","","3320","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cl3 N2 O4 Pt S -","- C12 H13 Cl3 N2 O4 Pt S -","- C96 H104 Cl24 N16 O32 Pt8 S8 -","8","1","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71073","MoKα","","0.0295","0.0248","","","0.0506","0.0527","","","","","","1.047","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349737","23.9829","0.0005","10.1789","0.0003","20.8153","0.0005","90","","103.822","0.002","90","","4934.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl3 N O2.33333 Pt S -","- C13 H14 Cl3 N O2.33333 Pt S -","- C156 H168 Cl36 N12 O28 Pt12 S12 -","12","3","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71073","MoKα","","0.0358","0.0247","","","0.0423","0.0448","","","","","","0.983","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4349738","5.8236","0.0003","9.9683","0.0006","17.4696","0.0009","86.328","0.004","88.63","0.004","73.328","0.005","969.49","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H16 Cl I2 N4 O P Pt -","- C15 H16 Cl I2 N4 O P Pt -","- C30 H32 Cl2 I4 N8 O2 P2 Pt2 -","2","1","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71069","MoKα","","0.0422","0.0327","","","0.0599","0.0652","","","","","","1.011","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349751","7.369","0.002","10.914","0.003","14.365","0.005","69.058","0.011","83.58","0.015","72.354","0.011","1028.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","4-anilinoquinazoline derivative","","- C20 H21 Cl F N5 O4 -","- C20 H21 Cl F N5 O4 -","- C40 H42 Cl2 F2 N10 O8 -","2","1","","Zhang, Yang; Luo, Qun; Zheng, Wei; Wang, Zhaoying; Lin, Yu; Zhang, Erlong; Lü, Shuang; Xiang, Junfeng; Zhao, Yao; Wang, Fuyi","Luminescent cyclometallated platinum(ii) complexes: highly promising EGFR/DNA probes and dual-targeting anticancer agents","Inorganic Chemistry Frontiers","2018","5","2","413","","10.1039/C7QI00346C","","","0.71073","MoKα","","0.0698","0.0614","","","0.1484","0.156","","","","","","1.1","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349752","19.794","0.005","7.7967","0.0018","23.287","0.006","90","","106.577","0.004","90","","3444.5","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cyclometalated platinum","","- C20.5 H14 Cl2 N2 Pt -","- C20.5 H14 Cl2 N2 Pt -","- C164 H112 Cl16 N16 Pt8 -","8","1","","Zhang, Yang; Luo, Qun; Zheng, Wei; Wang, Zhaoying; Lin, Yu; Zhang, Erlong; Lü, Shuang; Xiang, Junfeng; Zhao, Yao; Wang, Fuyi","Luminescent cyclometallated platinum(ii) complexes: highly promising EGFR/DNA probes and dual-targeting anticancer agents","Inorganic Chemistry Frontiers","2018","5","2","413","","10.1039/C7QI00346C","","","0.71073","MoKα","","0.063","0.0554","","","0.1161","0.1214","","","","","","1.133","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4349768","14.627","0.004","5.715","0.0018","20.939","0.007","90","","94.995","0.01","90","","1743.7","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Pd(LH)2","","","- C14 H16 Cl N4 O Pd0.5 S2 -","- C14 H16 Cl N4 O Pd0.5 S2 -","- C56 H64 Cl4 N16 O4 Pd2 S8 -","4","1","","Matesanz, Ana I.; Jimenez-Faraco, Eva; Ruiz, María C.; Balsa, Lucia M.; Navarro-Ranninger, Carmen; León, Ignacio E.; Quiroga, Adoracion G.","Mononuclear Pd(ii) and Pt(ii) complexes with an α-N-heterocyclic thiosemicarbazone: cytotoxicity, solution behaviour and interaction versus proven models from biological media","Inorganic Chemistry Frontiers","2018","5","1","73","","10.1039/C7QI00446J","","","0.71073","","","0.0682","0.0403","","","0.1064","0.1297","","","","","","1.083","","","","has coordinates","235813","2020-10-21","18:00:00",""
"4349769","16.065","0.002","16.647","0.002","12.6489","0.0016","90","","95.039","0.003","90","","3369.7","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Au N2 P -","- C36 H44 Au N2 P -","- C144 H176 Au4 N8 P4 -","4","1","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","","0.71073","MoKα","","0.0227","0.0174","","","0.0399","0.042","","","","","","1.04","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349770","10.2908","0.0004","12.7994","0.0003","13.1593","0.0004","105.118","0.002","91.445","0.003","101.445","0.002","1634.6","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H20 Au Cl2 N3 O8 Pb -","- C27 H20 Au Cl2 N3 O8 Pb -","- C54 H40 Au2 Cl4 N6 O16 Pb2 -","2","1","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","x-ray","1.54184","CuKα","","0.0613","0.0567","","","0.1452","0.151","","","","","","1.017","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349771","15.9964","0.0017","7.9167","0.0009","34.774","0.004","90","","90","","90","","4403.7","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H20 Au N3 -","- C27 H20 Au N3 -","- C216 H160 Au8 N24 -","8","2","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","","0.71073","MoKα","","0.0656","0.0381","","","0.0833","0.093","","","","","","1.017","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349772","12.5244","0.0008","16.115","0.0011","14.6106","0.001","90","","102.486","0.001","90","","2879.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Au F5 N2 P -","- C34 H21 Au F5 N2 P -","- C136 H84 Au4 F20 N8 P4 -","4","1","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","","0.71073","MoKα","","0.0592","0.0353","","","0.0703","0.0774","","","","","","1.064","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349780","14.488","0.016","10.021","0.011","16.448","0.018","90","","90","","90","","2388","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs O12 P3 Zn4 -","- Cs O12 P3 Zn4 -","- Cs8 O96 P24 Zn32 -","8","1","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.0664","0.0394","","","0.0825","0.095","","","","","","1.03","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349781","14","0.03","9.827","0.018","16.04","0.03","90","","90","","90","","2207","7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- O12 P3 Rb Zn4 -","- O12 P3 Rb Zn4 -","- O96 P24 Rb8 Zn32 -","8","1","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.0791","0.0494","","","0.1101","0.1268","","","","","","1.07","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349782","5.048","0.003","14.368","0.008","8.111","0.004","90","","107.797","0.006","90","","560.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B Cs O11 P2 Zn4 -","- B Cs O11 P2 Zn4 -","- B2 Cs2 O22 P4 Zn8 -","2","0.5","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.026","0.022","","","0.0498","0.053","","","","","","1.024","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349786","38.2008","0.0015","8.8262","0.0004","31.1789","0.0013","90","","108.547","0.001","90","","9966.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","JLG-16","","- C24 H0 F10 Ge28 N18 O62 -","- C24 F10 Ge28 N18 O62 -","- C96 F40 Ge112 N72 O248 -","4","0.5","","Liu, Jiancong; Ren, Xiaoyan; Yan, Yan; Wang, Ning; Wang, Shuang; Zhang, Hongyue; Li, Jiyang; Yu, Jihong","A new two-dimensional layered germanate with in situ embedded carbon dots for optical temperature sensing","Inorganic Chemistry Frontiers","2018","5","1","139","","10.1039/C7QI00602K","","","0.71073","MoKα","","0.074","0.0635","","","0.1527","0.1567","","","","","","1.203","","","","has coordinates,has disorder","235830","2020-10-21","18:00:00",""
"4349787","12.3211","0.0012","17.7113","0.0018","17.8335","0.0018","113.202","0.002","94.892","0.003","105.237","0.003","3372","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H70 B11 Cl1.5 F2 N7 O Zn -","- C71.8 H65.6 B11 Cl1.6 F2 N7 O Zn -","- C143.6 H131.2 B22 Cl3.2 F4 N14 O2 Zn2 -","2","1","","Berksun, Ekin; Nar, Ilgın; Atsay, Armağan; Özçeşmeci, İbrahim; Gelir, Ali; Hamuryudan, Esin","Synthesis and photophysical properties of a porphyrin‒BODIPY dyad and a porphyrin‒o-carborane‒BODIPY triad","Inorganic Chemistry Frontiers","2018","5","1","200","","10.1039/C7QI00608J","","","0.71073","MoKα","","0.3036","0.1364","","","0.3033","0.3856","","","","","","0.991","","","","has coordinates,has disorder","235832","2020-10-21","18:00:00",""
"4349788","15.33411","0.00015","15.33411","0.00015","12.21062","0.00017","90","","90","","90","","2871.14","0.06","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C8.5 H3 Co O5 -","- C8.5 H3 Co O5 -","- C68 H24 Co8 O40 -","8","0.5","","Yao, Ru-Xin; Fu, Huan-Huan; Yu, Bo; Zhang, Xian-Ming","Chiral metal‒organic frameworks constructed from four-fold helical chain SBUs for enantioselective recognition of α-hydroxy/amino acids","Inorganic Chemistry Frontiers","2018","5","1","153","","10.1039/C7QI00615B","","x-ray","0.71073","MoKα","","0.0475","0.0468","","","0.1362","0.1373","","","","","","0.833","","","","has coordinates","235834","2020-10-21","18:00:00",""
"4349789","15.2512","0.0005","15.2512","0.0005","12.1084","0.0005","90","","90","","90","","2816.4","0.17","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C17.5 H6 Co Ni O10 -","- C17.5 H6 Co Ni O10 -","- C70 H24 Co4 Ni4 O40 -","4","0.25","","Yao, Ru-Xin; Fu, Huan-Huan; Yu, Bo; Zhang, Xian-Ming","Chiral metal‒organic frameworks constructed from four-fold helical chain SBUs for enantioselective recognition of α-hydroxy/amino acids","Inorganic Chemistry Frontiers","2018","5","1","153","","10.1039/C7QI00615B","","x-ray","1.54184","CuKα","","0.0969","0.0944","","","0.2659","0.2698","","","","","","1.08","","","","has coordinates,has disorder","235834","2020-10-21","18:00:00",""
"4349790","15.2538","0.0001","15.2538","0.0001","12.1148","0.0002","90","","90","","90","","2818.85","0.05","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C17 H6 Ni2 O10 -","- C17 H6 Ni2 O10 -","- C68 H24 Ni8 O40 -","4","0.25","","Yao, Ru-Xin; Fu, Huan-Huan; Yu, Bo; Zhang, Xian-Ming","Chiral metal‒organic frameworks constructed from four-fold helical chain SBUs for enantioselective recognition of α-hydroxy/amino acids","Inorganic Chemistry Frontiers","2018","5","1","153","","10.1039/C7QI00615B","","","0.71073","MoKα","","0.0291","0.0275","","","0.0749","0.0757","","","","","","1.167","","","","has coordinates","235834","2020-10-21","18:00:00",""
"4349791","16.1944","0.0013","22.2882","0.0017","21.5409","0.0018","90","","103.346","0.002","90","","7565.1","1.1","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H88 Eu4 N12 O30 -","- C59 H88 Eu4 N12 O30 -","- C236 H352 Eu16 N48 O120 -","4","1","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.0338","0.0244","","","0.0575","0.0606","","","","","","1.016","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349792","14.8","0.003","24.707","0.003","21.429","0.002","90","","90","","90","","7836","2","133","2","133","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C62 H84 Cl2 Gd4 N12 O25 -","- C62 H84 Cl2 Gd4 N12 O25 -","- C248 H336 Cl8 Gd16 N48 O100 -","4","0.5","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.024","0.0229","","","0.0555","0.0557","","","","","","1.03","","","","has coordinates","235837","2020-10-21","18:00:00",""
"4349793","29.452","0.002","32.301","0.002","19.9402","0.0015","90","","127.72","0.001","90","","15005.2","1.8","113.15","","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H79 Er4 N13 O25 -","- C60 H79 Er4 N13 O25 -","- C480 H632 Er32 N104 O200 -","8","1","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.0328","0.0261","","","0.0609","0.0638","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349794","16.219","0.002","22.058","0.003","21.639","0.003","90","","102.577","0.003","90","","7555.8","1.7","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N12 O27 Tb4 -","- C58 H80 N12 O27 Tb4 -","- C232 H320 N48 O108 Tb16 -","4","1","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.041","0.033","","","0.0855","0.0884","","","","","","1.04","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349795","9.72904","0.00017","11.3592","0.0002","24.6724","0.0004","90","","93.8572","0.0017","90","","2720.47","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Dy2 N12 O12 -","- C20 H22 Dy2 N12 O12 -","- C80 H88 Dy8 N48 O48 -","4","1","","Zhang, Xuejing; Xu, Na; Shi, Wei; Wang, Bing-Wu; Cheng, Peng","The influence of an external magnetic field and magnetic-site dilution on the magnetization dynamics of a coordination network based on ferromagnetic coupled dinuclear dysprosium(iii) units","Inorganic Chemistry Frontiers","2018","5","2","432","","10.1039/C7QI00663B","","","0.71073","MoKα","","0.0317","0.0258","","","0.0557","0.059","","","","","","1.059","","","","has coordinates","235840","2020-10-21","18:00:00",""
"4349796","6.4103","0.001","13.4345","0.0018","19.156","0.003","72.349","0.002","80.678","0.002","88.59","0.002","1550.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Cd N2 O20 -","- C28 H25 Cd N2 O20 -","- C56 H50 Cd2 N4 O40 -","2","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0648","0.0554","","","0.1564","0.1833","","","","","","1.071","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349797","9.596","0.0019","9.923","0.002","10.004","0.002","90","","118.6","0.03","90","","836.4","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 O8 Pr -","- C5 O8 Pr -","- C20 O32 Pr4 -","4","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0302","0.0297","","","0.1042","0.1053","","","","","","0.968","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349798","12.136","0.0016","8.2328","0.0011","10.9375","0.0015","90","","90","","90","","1092.8","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H4 Cd N O7 -","- C9 H4 Cd N O7 -","- C36 H16 Cd4 N4 O28 -","4","0.5","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0318","0.0257","","","0.064","0.065","","","","","","2.447","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349799","16.2912","0.0019","16.2912","0.0019","16.2912","0.0019","90","","90","","90","","4323.7","0.9","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C4 H4 Mg O6 -","- C4 H4 Mg O6 -","- C96 H96 Mg24 O144 -","24","0.5","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0954","0.0756","","","0.2319","0.2527","","","","","","1.135","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349800","6.3956","0.0006","19.0514","0.0018","27.414","0.002","90","","100.31","0.002","90","","3286.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cd N2 O20 -","- C30 H30 Cd N2 O20 -","- C120 H120 Cd4 N8 O80 -","4","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0496","0.0429","","","0.1084","0.1123","","","","","","1.172","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349801","11.956","0.002","8.2251","0.0016","10.12","0.002","90","","96.08","0.03","90","","989.6","0.3","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 Eu2 O20 -","- C12 Eu2 O20 -","- C24 Eu4 O40 -","2","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0302","0.0294","","","0.0801","0.0857","","","","","","1.178","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349802","17.3215","0.001","10.3684","0.0006","14.0444","0.0008","90","","124.831","0.001","90","","2070.4","0.2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H17 Cl2 N3 O4 S Zn -","- C20 H17 Cl2 N3 O4 S Zn -","- C80 H68 Cl8 N12 O16 S4 Zn4 -","4","1","","Lin, Xiaoling; Liu, Beibei; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","One-step synthesis of ZnS-N/C nanocomposites derived from Zn-based chiral metal‒organic frameworks with highly efficient photocatalytic activity for the selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","3","723","","10.1039/C7QI00693D","","","0.71073","MoKα","","0.0267","0.0238","","","0.0478","0.0489","","","","","","0.884","","","","has coordinates","235846","2020-10-21","18:00:00",""
"4349803","17.3808","0.001","10.3874","0.0006","14.2015","0.0013","90","","125.004","0.001","90","","2100.2","0.3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H17 Cl2 N3 O4 S Zn -","- C20 H17 Cl2 N3 O4 S Zn -","- C80 H68 Cl8 N12 O16 S4 Zn4 -","4","1","","Lin, Xiaoling; Liu, Beibei; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","One-step synthesis of ZnS-N/C nanocomposites derived from Zn-based chiral metal‒organic frameworks with highly efficient photocatalytic activity for the selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","3","723","","10.1039/C7QI00693D","","","0.71073","MoKα","","0.0199","0.0189","","","0.0457","0.0461","","","","","","0.989","","","","has coordinates","235846","2020-10-21","18:00:00",""
"4349804","16.1575","0.0011","8.0428","0.0005","11.0622","0.0009","90","","90","","90","","1437.55","0.18","280","2","280","2","","","","","","","","5","P n m a","-P 2ac 2n","62","1-Methylpiperidinium triiodoplumbate(II)","1-Methylpiperidinium triiodoplumbate(II)","","- C12 H27.98 I6 N1.98 Pb2 -","- C12 H27.98 I6 N1.98 Pb2 -","- C24 H55.96 I12 N3.96 Pb4 -","2","0.25","","Zeb, Aurang; Sun, Zhihua; Khan, Asma; Zhang, Shuquan; Khan, Tariq; Asghar, Muhammad Adnan; Luo, Junhua","[C6H14N]PbI3: a one-dimensional perovskite-like order‒disorder phase transition material with semiconducting and switchable dielectric attributes","Inorganic Chemistry Frontiers","2018","5","4","897","","10.1039/C7QI00722A","","","0.71073","MoKα","","0.0607","0.0496","","","0.1181","0.1285","","","","","","1.069","","","","has coordinates,has disorder","235848","2020-10-21","18:00:00",""
"4349805","8.0435","0.0008","15.872","0.0016","11.0048","0.0013","90","","92.088","0.009","90","","1404","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-Methylpiperidinium triiodoplumbate(II)","1-Methylpiperidinium triiodoplumbate(II)","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","1","","Zeb, Aurang; Sun, Zhihua; Khan, Asma; Zhang, Shuquan; Khan, Tariq; Asghar, Muhammad Adnan; Luo, Junhua","[C6H14N]PbI3: a one-dimensional perovskite-like order‒disorder phase transition material with semiconducting and switchable dielectric attributes","Inorganic Chemistry Frontiers","2018","5","4","897","","10.1039/C7QI00722A","","","0.71073","MoKα","","0.1197","0.1065","","","0.2949","0.3182","","","","","","1.239","","","","has coordinates","235848","2020-10-21","18:00:00",""
"4349806","10.9049","0.0004","15.0238","0.0004","27.3563","0.0009","90","","100.35","0.004","90","","4408.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Er F9 N10 O11 S3 -","- C27 H34 Er F9 N10 O11 S3 -","- C108 H136 Er4 F36 N40 O44 S12 -","4","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.7107","MoKα","","0.0754","0.0701","","","0.1698","0.1731","","","","","","1.124","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349807","8.1752","0.0005","11.5352","0.0009","13.1045","0.001","66.989","0.007","72.978","0.006","85.535","0.005","1086.69","0.15","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 O10 Yb -","- C14 H20 N9 O10 Yb -","- C28 H40 N18 O20 Yb2 -","2","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.71073","MoKα","","0.058","0.049","","","0.1587","0.1615","","","","","","1.39","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349808","8.3705","0.0007","9.3039","0.0007","12.7182","0.0009","102.222","0.006","103.692","0.007","102.763","0.006","901.39","0.13","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 Er N8 O10 -","- C11 H15 Er N8 O10 -","- C22 H30 Er2 N16 O20 -","2","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.71073","MoKα","","0.0648","0.0572","","","0.1485","0.1539","","","","","","1.234","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349809","11.3018","0.0005","13.3845","0.0006","14.5613","0.0004","96.292","0.003","99.214","0.003","107.796","0.004","2040.55","0.15","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 F9 N10 O9 S3 Yb -","- C25 H26 F9 N10 O9 S3 Yb -","- C50 H52 F18 N20 O18 S6 Yb2 -","2","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.71073","MoKα","","0.0619","0.0558","","","0.1592","0.1628","","","","","","1.305","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349810","19.7179","0.0006","9.1613","0.0003","17.4139","0.0006","90","","110.035","0.001","90","","2955.31","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cd2 Cl4 N8 -","- C23 H32 Cd2 Cl4 N8 -","- C92 H128 Cd8 Cl16 N32 -","4","0.5","","Beheshti, Azizolla; Hashemi, Faezeh; Behvandi, Fatemeh; Mayer, Peter; Atzei, Davide","Selective high adsorption capacity for Congo red dye of a new 3D supramolecular complex and its magnetic hybrid","Inorganic Chemistry Frontiers","2018","5","3","694","","10.1039/C7QI00728K","","","0.71073","MoKα","","0.0247","0.0192","","","0.0453","0.0473","","","","","","1.052","","","","has coordinates","235852","2020-10-21","18:00:00",""
"4349811","22.398","0.0012","30.4685","0.001","26.8204","0.0013","90","","90","","90","","18303.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H75 Ca4 N3 O27 -","- C78 H75 Ca4 N3 O27 -","- C624 H600 Ca32 N24 O216 -","8","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","1.54184","CuKα","","0.1532","0.0952","","","0.2368","0.2932","","","","","","0.897","","","","has coordinates,has disorder","235855","2020-10-21","18:00:00",""
"4349812","12.5932","0.0002","18.4157","0.0004","33.2641","0.0006","90","","90","","90","","7714.4","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H42 Mg2 N2 O15 -","- C41 H42 Mg2 N2 O15 -","- C328 H336 Mg16 N16 O120 -","8","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","1.54184","CuKα","","0.0663","0.0568","","","0.1509","0.1603","","","","","","1.045","","","","has coordinates","235855","2020-10-21","18:00:00",""
"4349813","11.169","0.0006","24.2978","0.0013","33.4201","0.0018","90","","90","","90","","9069.6","0.8","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C86 H97 Ca4 N5 O31 -","- C86 H97 Ca4 N5 O31 -","- C344 H388 Ca16 N20 O124 -","4","0.5","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","0.7749","","","0.052","0.0459","","","0.1222","0.1273","","","","","","1.034","","","","has coordinates,has disorder","235855","2020-10-21","18:00:00",""
"4349814","14.287","0.005","19.257","0.005","19.522","0.005","65.213","0.005","73.212","0.005","75.976","0.005","4623","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H84 N6 O30 Sr4 -","- C84 H90 N6 O30 Sr4 -","- C168 H180 N12 O60 Sr8 -","2","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","0.71073","MoKα","","0.0686","0.0505","","","0.1292","0.1414","","","","","","0.97","","","","has coordinates","235855","2020-10-21","18:00:00",""
"4349815","21.246","0.004","6.9996","0.0014","10.658","0.002","90","","90","","90","","1585","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 Au Cl4 N2 -","- C11 H13 Au Cl4 N2 -","- C44 H52 Au4 Cl16 N8 -","4","0.5","","Xu, Zi-Xuan; Zhao, Yong-Lu; Liang, Wen-Ying; Zhou, Pan-Pan; Yang, Ying","A novel N-methylimidazolium-based poly(ionic liquid) to recover trace tetrachloroaurate from aqueous solution based on multiple supramolecular interactions","Inorganic Chemistry Frontiers","2018","5","4","922","","10.1039/C7QI00753A","","","0.71073","MoKα","","0.0605","0.0411","","","0.0731","0.08","","","","","","1.159","","","","has coordinates","235857","2020-10-21","18:00:00",""
"4349816","10.533","0.002","14.728","0.003","20.105","0.004","79.04","0.03","81.09","0.03","89","0.03","3024.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H53 Ag6 I9 La N8 O8 -","- C26 H53 Ag6 I9 La N8 O8 -","- C52 H106 Ag12 I18 La2 N16 O16 -","2","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1063","0.0849","","","0.2318","0.2428","","","","","","1.122","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349817","13.2935","0.0014","31.479","0.003","13.6059","0.0014","90","","93.06","0.003","90","","5685.5","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Bi2 Er I9 N8 O8 -","- C28 H50 Bi2 Er I9 N8 O8 -","- C112 H200 Bi8 Er4 I36 N32 O32 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.0656","0.0497","","","0.1238","0.1313","","","","","","1.034","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349818","10.499","0.002","14.682","0.003","20.146","0.004","79.35","0.03","81.36","0.03","88.86","0.03","3017.2","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H53 Ag6 I9 N8 Nd O8 -","- C26 H53 Ag6 I9 N8 Nd O8 -","- C52 H106 Ag12 I18 N16 Nd2 O16 -","2","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1032","0.0705","","","0.1869","0.2066","","","","","","1.04","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349819","13.1933","0.0019","31.703","0.004","13.6159","0.0019","90","","93.601","0.002","90","","5683.8","1.3","296","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Bi2 I9 N8 O8 Pr -","- C28 H50 Bi2 I9 N8 O8 Pr -","- C112 H200 Bi8 I36 N32 O32 Pr4 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1144","0.0602","","","0.1371","0.158","","","","","","1.036","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349820","13.1331","0.0016","31.137","0.004","13.5282","0.0017","90","","93.366","0.002","90","","5522.5","1.2","175","","175","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Bi2 I9 N8 O8 Pr -","- C28 H50 Bi2 I9 N8 O8 Pr -","- C112 H200 Bi8 I36 N32 O32 Pr4 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.0631","0.0492","","","0.1177","0.1247","","","","","","1.046","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349821","10.455","0.002","14.619","0.003","20.018","0.004","79.58","0.03","80.96","0.03","89.11","0.03","2971.5","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H53 Ag6 I9 N8 O8 Sm -","- C26 H53 Ag6 I9 N8 O8 Sm -","- C52 H106 Ag12 I18 N16 O16 Sm2 -","2","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.2147","0.0935","","","0.2096","0.2623","","","","","","0.943","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349822","13.368","0.003","31.511","0.006","18.594","0.003","90","","132.855","0.01","90","","5742","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Bi2 I9 La N8 O8 -","- C28 H50 Bi2 I9 La N8 O8 -","- C112 H200 Bi8 I36 La4 N32 O32 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1235","0.0905","","","0.1906","0.2033","","","","","","1.155","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349823","11.1554","0.0008","11.5176","0.0008","18.4679","0.0013","99.317","0.002","95.757","0.002","98.084","0.002","2299.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Cl4 N4 O2 Ru2 -","- C49 H49 Cl4 N4 O2 Ru2 -","- C98 H98 Cl8 N8 O4 Ru4 -","2","1","","Mohamed Kasim, Mohamed Subarkhan; Sundar, Saranya; Rengan, Ramesh","Synthesis and structure of new binuclear ruthenium(ii) arene benzil bis(benzoylhydrazone) complexes: investigation on antiproliferative activity and apoptosis induction","Inorganic Chemistry Frontiers","2018","5","3","585","","10.1039/C7QI00761B","","","1.54178","CuKα","","0.039","0.038","","","0.1174","0.119","","","","","","1.073","","","","has coordinates","235863","2020-10-21","18:00:00",""
"4349824","22.1609","0.0007","8.6759","0.0003","21.592","0.0007","90","","95.762","0.001","90","","4130.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl2 N4 O4 Ru2 -","- C42 H36 Cl2 N4 O4 Ru2 -","- C168 H144 Cl8 N16 O16 Ru8 -","4","1","","Mohamed Kasim, Mohamed Subarkhan; Sundar, Saranya; Rengan, Ramesh","Synthesis and structure of new binuclear ruthenium(ii) arene benzil bis(benzoylhydrazone) complexes: investigation on antiproliferative activity and apoptosis induction","Inorganic Chemistry Frontiers","2018","5","3","585","","10.1039/C7QI00761B","","","0.71073","MoKα","","0.061","0.0475","","","0.0993","0.1039","","","","","","1.11","","","","has coordinates","235863","2020-10-21","18:00:00",""
"4349825","11.006","0.0019","22.801","0.004","24.571","0.004","90","","90","","90","","6166","1.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H18 N32 O16 Zn5 -","- C26 H18 N32 O16 Zn5 -","- C104 H72 N128 O64 Zn20 -","4","0.25","","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","","0.0533","0.0513","","","0.1871","0.1893","","","","","","1.212","","","","has coordinates","235866","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",""
"4349827","7.624","0.002","9.745","0.003","15.392","0.005","90","","90","","90","","1143.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N7 O2 S Zn -","- C6 H7 N7 O2 S Zn -","- C24 H28 N28 O8 S4 Zn4 -","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","","0.0281","0.0241","","","0.0467","0.0478","","","","","","0.943","","","","has coordinates","235866","2020-10-21","18:00:00",""
"4349828","8.7052","0.0017","10.349","0.002","10.742","0.002","90","","90","","90","","967.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Mn N5 O3 -","- C6 H3 Mn N5 O3 -","- C24 H12 Mn4 N20 O12 -","4","1","","Wang, Jiao-Yang; Yang, Qian; Zhang, Yi-Quan; Che, Guang-Bo; Zhao, Jiong-Peng; Liu, Fu-Chen","Two isomorphous azide/formate Mn(ii) coordination polymers show spin-canted antiferromagnetism only in the formate system","Inorganic Chemistry Frontiers","2018","5","3","719","","10.1039/C7QI00789B","","","0.71073","MoKα","","0.097","0.0722","","","0.1582","0.1682","","","","","","1.154","","","","has coordinates","235869","2020-10-21","18:00:00",""
"4349829","9.2234","0.0018","9.795","0.002","10.601","0.002","90","","90","","90","","957.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Mn N2 O5 -","- C7 H4 Mn N2 O5 -","- C28 H16 Mn4 N8 O20 -","4","1","","Wang, Jiao-Yang; Yang, Qian; Zhang, Yi-Quan; Che, Guang-Bo; Zhao, Jiong-Peng; Liu, Fu-Chen","Two isomorphous azide/formate Mn(ii) coordination polymers show spin-canted antiferromagnetism only in the formate system","Inorganic Chemistry Frontiers","2018","5","3","719","","10.1039/C7QI00789B","","","0.71073","MoKα","","0.1168","0.1066","","","0.2356","0.2422","","","","","","1.155","","","","has coordinates","235869","2020-10-21","18:00:00",""
"4349830","14.6341","0.0002","20.1216","0.0004","15.7028","0.0003","90","","91.479","0.002","90","","4622.33","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Mo12 N3 O42 P -","- C18 H22 Mo12 N3 O42 P -","- C72 H88 Mo48 N12 O168 P4 -","4","1","","Mei, Mingliang; Xu, Xinxin; Wang, Yun; Wang, Xinjiao; Huo, Yuqiu","Three-dimensional supramolecular phosphomolybdate architecture-derived Mo-based electrocatalytic system for overall water splitting","Inorganic Chemistry Frontiers","2018","5","4","819","","10.1039/C7QI00812K","","","0.71073","MoKα","","0.0349","0.0283","","","0.0771","0.0826","","","","","","0.9","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349831","11.8132","0.0002","34.5225","0.0005","14.9681","0.0003","90","","101.544","0.0018","90","","5980.82","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H80 Mg3 N2 O18 -","- C114 H80 Mg3 N2 O18 -","- C228 H160 Mg6 N4 O36 -","2","0.5","","Zhang, Minghui; Qi, Ziqiang; Feng, Yang; Guo, Bingbing; Hao, Yujian; Xu, Zhuo; Zhang, Liangliang; Sun, Daofeng","A 2D porous pentiptycene-based MOF for efficient detection of Ba2+ and selective adsorption of dyes from water","Inorganic Chemistry Frontiers","2018","5","6","1314","","10.1039/C8QI00098K","","","1.54184","CuKα","","0.0866","0.0759","","","0.2256","0.2379","","","","","","1.081","","","","has coordinates","236880","2020-10-21","18:00:00",""
"4349832","10.5969","0.0003","14.7104","0.0004","28.7304","0.0007","90","","92.431","0.002","90","","4474.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H26 Cd N6 O4 S -","- C39 H26 Cd N6 O4 S -","- C156 H104 Cd4 N24 O16 S4 -","4","1","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.0495","0.0436","","","0.1153","0.1185","","","","","","1.046","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349833","10.1231","0.0002","14.8998","0.0003","28.9502","0.0007","90","","94.192","0.002","90","","4354.94","0.16","100","0.14","100","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cd N7 O6 -","- C43 H35 Cd N7 O6 -","- C172 H140 Cd4 N28 O24 -","4","1","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.1072","0.0987","","","0.2466","0.2511","","","","","","1.189","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349834","21.0432","0.0004","17.4458","0.0003","26.3825","0.0004","90","","111.359","0.0019","90","","9020.2","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C168 H154 Cd5 Cl4 N30 O23 -","- C168 H144 Cd5 Cl2 N30 O23 -","- C336 H288 Cd10 Cl4 N60 O46 -","2","0.5","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.0852","0.0764","","","0.2152","0.2235","","","","","","1.05","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349835","21.0221","0.0005","17.4201","0.0005","26.3666","0.0007","90","","111.047","0.003","90","","9011.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H69 Cd2 Cl2 N14 O10 -","- C81 H67 Cd2 Cl2 N14 O10 -","- C324 H268 Cd8 Cl8 N56 O40 -","4","1","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.0853","0.0768","","","0.2166","0.2256","","","","","","1.07","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349836","15.2071","0.0005","12.8077","0.0004","14.8944","0.0005","90","","102.117","0.003","90","","2836.32","0.16","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 B2 Dy N12 O2 -","- C23 H27 B2 Dy N12 O2 -","- C92 H108 B8 Dy4 N48 O8 -","4","1","","Guégan, Frédéric; Riobé, François; Maury, Olivier; Jung, Julie; Le Guennic, Boris; Morell, Christophe; Luneau, Dominique","Teaching an old molecule new tricks: evidence and rationalisation of the slow magnetisation dynamics in [DyTp2Acac]","Inorganic Chemistry Frontiers","2018","5","6","1346","","10.1039/C8QI00174J","","","0.71073","MoKα","","0.073","0.0557","","0.0556","0.0489","0.0473","","","","","","1.1815","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349837","26.6695","0.0005","26.6695","0.0005","21.9235","0.0005","90","","90","","120","","13504.2","0.5","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C180 H287 Cl3 Co14 N62 O43 S12 -","- C165 H159 Cl3 Co14 N57 O38 S12 -","- C330 H318 Cl6 Co28 N114 O76 S24 -","2","0.166667","","Shi, Cheng; Chen, Mengwei; Han, Xu; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Zheng, Zhiping","Thiacalix[4]arene-supported tetradecanuclear cobalt nanocage cluster as precursor to synthesize CoO/Co9S8@CN composite for supercapacitor application","Inorganic Chemistry Frontiers","2018","5","6","1329","","10.1039/C8QI00178B","","","0.71073","MoKα","","0.0978","0.0745","","","0.2122","0.2467","","","","","","1.069","","","","has coordinates,has disorder","236885","2020-10-21","18:00:00",""
"4349838","10.2821","0.0009","12.1907","0.0015","13.1148","0.0012","82.243","0.009","84.962","0.007","72.071","0.009","1547.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Cl2 Fe2 N8 O14 S2 -","- C62 H60 Cl2 Fe2 N8 O14 S2 -","- C62 H60 Cl2 Fe2 N8 O14 S2 -","1","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.1057","0.0644","","","0.1598","0.1906","","","","","","1.039","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349839","10.2879","0.0006","12.2402","0.0011","13.0862","0.0011","81.993","0.007","84.845","0.006","71.976","0.007","1549.8","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Cl2 N8 O14 S2 Zn2 -","- C62 H60 Cl2 N8 O14 S2 Zn2 -","- C62 H60 Cl2 N8 O14 S2 Zn2 -","1","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.0926","0.0605","","","0.1536","0.1769","","","","","","1.021","","","","has coordinates,has disorder","236887","2020-10-21","18:00:00",""
"4349840","10.3328","0.001","12.2165","0.0012","13.0629","0.0012","82.207","0.008","84.709","0.008","71.837","0.009","1550.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Cl2 Co2 N8 O14 S2 -","- C62 H60 Cl2 Co2 N8 O14 S2 -","- C62 H60 Cl2 Co2 N8 O14 S2 -","1","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.0818","0.0506","","","0.1205","0.1409","","","","","","1.056","","","","has coordinates,has disorder","236887","2020-10-21","18:00:00",""
"4349841","35.7961","0.0016","33.5952","0.0013","33.0784","0.0018","90","","90","","90","","39779","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C186 H144 N24 Nb2 Ni6 O52.19 -","- C186 H144 N24 Nb2 Ni6 O52.22 -","- C1488 H1152 N192 Nb16 Ni48 O417.76 -","8","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.0785","0.064","","","0.1644","0.1769","","","","","","1.032","","","","has coordinates","236887","2020-10-21","18:00:00",""
"4349842","4.83448","0.00012","14.1398","0.0005","22.1826","0.0008","90","","90","","90","","1516.37","0.09","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8.036 H6 Cu0.5 N2.927 O -","- C8.0365 H6 Cu0.5 N2.927 O -","- C64.292 H48 Cu4 N23.416 O8 -","8","1","","Li, Shixiong; Wei, Chaohai; Hu, Yun; Wu, Haizhen; Li, Fusheng","In situ synthesis and photocatalytic mechanism of a cyano bridged Cu(i) polymer","Inorganic Chemistry Frontiers","2018","5","6","1282","","10.1039/C8QI00205C","","","0.71073","MoKα","","0.0562","0.0418","","","0.108","0.1179","","","","","","1.0183","","","","has coordinates,has disorder","236889","2020-10-21","18:00:00",""
"4349843","12.2174","0.0004","15.9283","0.0006","19.3779","0.0007","77.667","0.001","77.782","0.001","68.551","0.001","3391.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H180 Dy4 N8 O26 -","- C118 H180 Dy4 N8 O26 -","- C118 H180 Dy4 N8 O26 -","1","0.5","","Wang, Wen-Min; Kang, Xiao-Min; Shen, Hai-Yun; Wu, Zhi-Lei; Gao, Hong-Ling; Cui, Jian-Zhong","Modulating single-molecule magnet behavior towards multiple magnetic relaxation processes through structural variation in Dy4 clusters","Inorganic Chemistry Frontiers","2018","5","8","1876","","10.1039/C8QI00214B","","","0.71073","MoKα","","0.0721","0.0527","","","0.1226","0.1393","","","","","","1.08","","","","has coordinates","236891","2020-10-21","18:00:00",""
"4349844","12.668","0.003","14.063","0.003","16.523","0.003","82.26","0.03","69.22","0.03","70.85","0.03","2599.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C119.63 H93.63 Cl0.73 Dy4 N9.63 O20 -","- C119.632 H93.632 Cl0.736 Dy4 N9.632 O20 -","- C119.632 H93.632 Cl0.736 Dy4 N9.632 O20 -","1","0.5","","Wang, Wen-Min; Kang, Xiao-Min; Shen, Hai-Yun; Wu, Zhi-Lei; Gao, Hong-Ling; Cui, Jian-Zhong","Modulating single-molecule magnet behavior towards multiple magnetic relaxation processes through structural variation in Dy4 clusters","Inorganic Chemistry Frontiers","2018","5","8","1876","","10.1039/C8QI00214B","","","0.71073","MoKα","","0.0597","0.0496","","","0.1404","0.1537","","","","","","1.103","","","","has coordinates,has disorder","236891","2020-10-21","18:00:00",""
"4349845","17.792","0.0018","17.7736","0.0016","17.3809","0.0017","90","","103.707","0.003","90","","5339.8","0.9","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H42 Dy4 F48 N10 O24 -","- C79 H42 Dy4 F48 N10 O24 -","- C158 H84 Dy8 F96 N20 O48 -","2","0.5","","Wang, Wen-Min; Kang, Xiao-Min; Shen, Hai-Yun; Wu, Zhi-Lei; Gao, Hong-Ling; Cui, Jian-Zhong","Modulating single-molecule magnet behavior towards multiple magnetic relaxation processes through structural variation in Dy4 clusters","Inorganic Chemistry Frontiers","2018","5","8","1876","","10.1039/C8QI00214B","","","0.71073","MoKα","","0.0294","0.0248","","","0.0633","0.0655","","","","","","1.024","","","","has coordinates,has disorder","236891","2020-10-21","18:00:00",""
"4349846","4.787","0.003","7.564","0.0003","9.6012","0.0005","90","","90.283","0.013","90","","347.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","datolite","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0333","0.029","","","0.0772","0.0795","","","","","","1.06","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349847","4.526","0.004","7.222","0.0004","9.3443","0.0003","90","","91.08","0.013","90","","305.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0616","0.052","","","0.1225","0.135","","","","","","0.979","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349848","4.4839","0.0018","7.224","0.001","9.3484","0.0006","90","","90.696","0.018","90","","302.79","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0593","0.0547","","","0.1475","0.1594","","","","","","0.895","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349849","4.479","0.007","6.7168","0.0006","9.2421","0.0007","90","","90.63","0.03","90","","278","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0742","0.0594","","","0.1485","0.1693","","","","","","0.834","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349850","4.6378","0.0017","7.4034","0.0004","9.484","0.0006","90","","90.729","0.017","90","","325.61","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0572","0.048","","","0.1709","0.2087","","","","","","1.208","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349851","4.464","0.008","6.6986","0.0009","9.2145","0.0011","90","","90.76","0.03","90","","275.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.074","0.0543","","","0.1261","0.1406","","","","","","0.971","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349852","4.538","0.003","6.7951","0.0013","9.2277","0.0009","90","","90.7","0.03","90","","284.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.1283","0.1133","","","0.29","0.3172","","","","","","1.2","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349853","4.4367","0.0019","7.2074","0.0007","9.2808","0.0005","90","","90.9","0.017","90","","296.74","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0979","0.0847","","","0.2347","0.2645","","","","","","1.058","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349854","4.531","0.004","6.687","0.0005","9.252","0.005","90","","90.27","0.08","90","","280.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0529","0.0415","","","0.1372","0.1532","","","","","","0.834","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349855","4.579","0.003","7.2986","0.0012","9.3814","0.0015","90","","91.19","0.03","90","","313.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0542","0.05","","","0.1584","0.1635","","","","","","1.282","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349856","4.8347","0.001","7.6083","0.0017","9.629","0.002","90","","90.23","0.004","90","","354.19","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.71073","MoKα","","0.041","0.0397","","","0.1278","0.1378","","","","","","1.487","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349857","4.773","0.0017","7.5294","0.0006","9.5786","0.0006","90","","90.442","0.014","90","","344.22","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0471","0.0424","","","0.1204","0.1539","","","","","","1.203","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349858","4.448","0.01","6.6725","0.0007","9.19","0.0011","90","","90.73","0.04","90","","272.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0604","0.0495","","","0.1224","0.1341","","","","","","0.917","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349859","11.033","0.002","12.713","0.003","36.597","0.007","90","","90","","90","","5133.2","1.8","386","2","386.3","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 In N3 O9 -","- C46 H34 In N3 O9 -","- C184 H136 In4 N12 O36 -","4","0.5","","Hou, Sheng-Li; Dong, Jie; Jiao, Zhuo-Hao; Jiang, Xiao-Lei; Yang, Xiu-Pei; Zhao, Bin","Trace water accelerating the CO2 cycloaddition reaction catalyzed by an indium‒organic framework","Inorganic Chemistry Frontiers","2018","5","7","1694","","10.1039/C8QI00260F","","","0.71073","MoKα","","0.1175","0.0895","","","0.2413","0.2604","","","","","","1.182","","","","has coordinates","236895","2020-10-21","18:00:00",""
"4349860","11.7531","0.0009","13.8438","0.001","13.9872","0.0007","102.801","0.006","91.679","0.005","108.946","0.007","2086.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H66 Cl12 Dy2 O14 -","- C80 H66 Cl12 Dy2 O14 -","- C80 H66 Cl12 Dy2 O14 -","1","0.5","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","0.7107","MoKα","","0.0764","0.0498","","","0.1077","0.1236","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349861","11.7403","0.0007","13.8267","0.0008","13.9874","0.0009","103.008","0.005","92.037","0.005","108.773","0.005","2080.2","0.2","","","","","","","","","","","","5","P 1","P 1","1","","","","- C80 H66 Cl12 O14 Y2 -","- C40 H33 Cl6 O7 Y -","- C40 H33 Cl6 O7 Y -","1","1","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","295994","2024-11-19","11:44:04",""
"4349862","11.4039","0.0003","13.0199","0.0005","13.9897","0.0005","70.393","0.003","71.631","0.003","75.913","0.003","1834.87","0.12","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H70 Cl4 Dy2 O14 -","- C80 H70 Cl4 Dy2 O14 -","- C80 H70 Cl4 Dy2 O14 -","1","0.5","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","0.7107","MoKα","","0.0496","0.0348","","","0.0569","0.0649","","","","","","1.092","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349863","11.765","","13.856","","14.01","","102.86","","91.29","","108.64","","2098.9","","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H66 Cl12 Gd2 O14 -","- C80 H66 Cl12 Gd2 O14 -","- C80 H66 Cl12 Gd2 O14 -","1","0.5","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","0.71","MoKα","","0.0599","0.0431","","","0.1018","0.1166","","","","","","1.083","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349864","13.3099","0.0004","10.2168","0.0003","8.0515","0.0003","90","","90","","90","","1094.88","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Wang, Lusha; Xu, Xinxin; Wang, Yun; Wang, Xinjiao; Shi, Fa-nian","Sulfur vacancy-rich CdS loaded on filter paper-derived 3D nitrogen-doped mesoporous carbon carrier for photocatalytic VOC removal","Inorganic Chemistry Frontiers","2018","5","6","1470","","10.1039/C8QI00305J","","","0.71073","MoKα","","0.0352","0.0294","","","0.0685","0.0743","","","","","","1.085","","","","has coordinates","236898","2020-10-21","18:00:00",""
"4349865","27.0729","0.0011","17.4291","0.0007","15.412","0.0007","90","","96.264","0.002","90","","7228.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H25.33 K1.12 N12 Nd2 O17.23 W -","- C21 H8 K1.125 N12 Nd2 O17.225 W -","- C168 H64 K9 N96 Nd16 O137.8 W8 -","8","1","","Gao, Yuan; Viciano-Chumillas, Marta; Toader, Ana Maria; Teat, Simon J.; Ferbinteanu, Marilena; Tanase, Stefania","Cyanide-bridged coordination polymers constructed from lanthanide ions and octacyanometallate building-blocks","Inorganic Chemistry Frontiers","2018","5","8","1967","","10.1039/C8QI00357B","","","0.7749","synchrotron","","0.0249","0.0209","","","0.0562","0.0575","","","","","","1.057","","","","has coordinates,has disorder","236900","2020-10-21","18:00:00",""
"4349866","31.038","0.002","31.038","0.002","20.6449","0.0018","90","","90","","90","","19888","3","162.89","0.1","162.89","0.1","","","","","","","","4","I 4/m","-I 4","87","","","","- C50 H22 Cu3 O15 -","- C50 H22 Cu3 O15 -","- C400 H176 Cu24 O120 -","8","0.5","","Wang, Yutong; Fan, Weidong; Wang, Xia; Han, Yinfeng; Zhang, Liangliang; Liu, Di; Dai, Fangna; Sun, Daofeng","Solvent-induced framework-interpenetration isomers of Cu MOFs for efficient light hydrocarbon separation","Inorganic Chemistry Frontiers","2018","5","10","2408","","10.1039/C8QI00469B","","x-ray","1.54184","CuKα","","0.2211","0.1103","","","0.3025","0.3261","","","","","","0.865","","","","has coordinates","236902","2020-10-21","18:00:00",""
"4349867","31.3382","0.0011","31.3382","0.0011","39.0786","0.001","90","","90","","90","","38378","2","273.45","0.1","273.45","0.1","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- C50 H26 Cu3 O15 -","- C50 H26 Cu3 O15 -","- C400 H208 Cu24 O120 -","8","0.25","","Wang, Yutong; Fan, Weidong; Wang, Xia; Han, Yinfeng; Zhang, Liangliang; Liu, Di; Dai, Fangna; Sun, Daofeng","Solvent-induced framework-interpenetration isomers of Cu MOFs for efficient light hydrocarbon separation","Inorganic Chemistry Frontiers","2018","5","10","2408","","10.1039/C8QI00469B","","x-ray","1.54184","CuKα","","0.1478","0.064","","","0.1436","0.1698","","","","","","0.731","","","","has coordinates","236902","2020-10-21","18:00:00",""
"4349868","12.0326","0.0005","14.137","0.0006","20.7121","0.0009","70.239","0.002","76.719","0.002","70.278","0.002","3094.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H208 N8 O20 Pd2 -","- C114 H208 N8 O20 Pd2 -","- C114 H208 N8 O20 Pd2 -","1","0.5","","Fortea-Pérez, Francisco Ramón; El Idrissi Moubtassim, Mouly Lahcen; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Structurally characterized dipalladium(ii)-oxamate metallacyclophanes as efficient catalysts for sustainable Heck and Suzuki reactions in ionic liquids","Inorganic Chemistry Frontiers","2018","5","9","2148","","10.1039/C8QI00498F","","","0.71073","MoKα","","0.0835","0.0743","","","0.2052","0.2164","","","","","","1.07","","","","has coordinates","236904","2020-10-21","18:00:00",""
"4349869","10.4534","0.0007","14.7803","0.001","20.3003","0.0013","102.903","0.002","102.983","0.002","105.397","0.002","2809.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H192 N8 O20 Pd2 -","- C108 H192 N8 O20 Pd2 -","- C108 H192 N8 O20 Pd2 -","1","0.5","","Fortea-Pérez, Francisco Ramón; El Idrissi Moubtassim, Mouly Lahcen; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Structurally characterized dipalladium(ii)-oxamate metallacyclophanes as efficient catalysts for sustainable Heck and Suzuki reactions in ionic liquids","Inorganic Chemistry Frontiers","2018","5","9","2148","","10.1039/C8QI00498F","","","0.71073","MoKα","","0.0329","0.0288","","","0.0841","0.0876","","","","","","1.029","","","","has coordinates","236904","2020-10-21","18:00:00",""
"4349870","11.9627","0.0013","14.2598","0.0016","20.435","0.002","69.618","0.005","89.594","0.005","69.736","0.005","3039.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H192 N12 O20 Pd2 -","- C104 H192 N12 O20 Pd2 -","- C104 H192 N12 O20 Pd2 -","1","0.5","","Fortea-Pérez, Francisco Ramón; El Idrissi Moubtassim, Mouly Lahcen; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Structurally characterized dipalladium(ii)-oxamate metallacyclophanes as efficient catalysts for sustainable Heck and Suzuki reactions in ionic liquids","Inorganic Chemistry Frontiers","2018","5","9","2148","","10.1039/C8QI00498F","","","0.71073","MoKα","","0.1006","0.0934","","","0.2602","0.2659","","","","","","1.022","","","","has coordinates","236904","2020-10-21","18:00:00",""
"4349871","7.7317","0.0003","17.7115","0.0008","23.3846","0.001","90","","99.182","0.002","90","","3161.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cd N2 O6 S2 -","- C34 H30 Cd N2 O6 S2 -","- C136 H120 Cd4 N8 O24 S8 -","4","1","","Dutta, Basudeb; Jana, Rajkumar; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Synthesis of a Cd(ii) based 1D coordination polymer by in situ ligand generation and fabrication of a photosensitive electronic device","Inorganic Chemistry Frontiers","2018","5","8","1998","","10.1039/C8QI00530C","","","0.71073","MoKα","","0.0339","0.028","","","0.0639","0.0664","","","","","","1.089","","","","has coordinates","236906","2020-10-21","18:00:00",""
"4349872","30.427","0.006","18.048","0.004","23.107","0.004","90","","90","","90","","12689","4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H22 Cl6 Ho2 N3 O20 P3 -","- C42 H22 Cl6 Ho2 N3 O20 P3 -","- C336 H176 Cl48 Ho16 N24 O160 P24 -","8","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.1004","0.0775","","","0.2602","0.2794","","","","","","1.15","","","","has coordinates","236909","2020-10-21","18:00:00",""
"4349873","54.516","0.006","7.8411","0.0008","27.411","0.003","90","","114.783","0.005","90","","10638","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H43 Ho2 N4 O19 P3 -","- C51 H43 Ho2 N4 O19 P3 -","- C408 H344 Ho16 N32 O152 P24 -","8","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.0297","0.0251","","","0.0842","0.0943","","","","","","1.01","","","","has coordinates,has disorder","236909","2020-10-21","18:00:00",""
"4349874","12.3748","0.0009","17.8829","0.0011","18.332","0.0012","105.84","0.003","106.771","0.003","109.139","0.003","3353","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 Br6 Ho2 N5 O22 P3 -","- C48 H32 Br6 Ho2 N5 O22 P3 -","- C96 H64 Br12 Ho4 N10 O44 P6 -","2","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.1002","0.0781","","","0.2618","0.2838","","","","","","1.059","","","","has coordinates","236909","2020-10-21","18:00:00",""
"4349875","14.0524","0.0004","24.5135","0.0007","26.5196","0.0008","90","","101.943","0.002","90","","8937.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 Ho2 N3 O27 P3 -","- C49 H39 Ho2 N3 O27 P3 -","- C196 H156 Ho8 N12 O108 P12 -","4","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.0407","0.035","","","0.1033","0.1058","","","","","","1.075","","","","has coordinates","236909","2020-10-21","18:00:00",""
"4349876","13.033","0.0019","22.665","0.003","11.9449","0.0016","90","","116.967","0.002","90","","3144.8","0.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Ag8 N16 O48 P S4 W12 -","- C8 H12 Ag8 N16 O48 P S4 W12 -","- C16 H24 Ag16 N32 O96 P2 S8 W24 -","2","0.5","","Lin, Xiaoling; Zhang, Mengling; Zhu, Mengmeng; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","Engineering a polyoxometalate-based metal organic framework with more exposed active edge sites of Ag for visible light-driven selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","10","2493","","10.1039/C8QI00648B","","","0.71073","MoKα","","0.0975","0.0778","","","0.2319","0.2391","","","","","","1.63","","","","has coordinates","236911","2020-10-21","18:00:00",""
"4349877","24.88","0.005","10.683","0.002","22.308","0.004","90","","106.567","0.004","90","","5683.2","1.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Ag8 Mo12 N16 O42 P S4 -","- C8 H12 Ag8 Mo12 N16 O42 P S4 -","- C32 H48 Ag32 Mo48 N64 O168 P4 S16 -","4","0.5","","Lin, Xiaoling; Zhang, Mengling; Zhu, Mengmeng; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","Engineering a polyoxometalate-based metal organic framework with more exposed active edge sites of Ag for visible light-driven selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","10","2493","","10.1039/C8QI00648B","","","0.71073","MoKα","","0.1035","0.0612","","","0.1653","0.192","","","","","","1.095","","","","has coordinates","236911","2020-10-21","18:00:00",""
"4349878","27.3963","0.0013","27.3963","0.0013","75.861","0.003","90","","90","","120","","49310","4","150.01","0.1","150.01","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20.5 H11.83 F In1.5 O7.67 -","- C20.5 H11.8334 F In1.5 O7.6667 -","- C738 H426.002 F36 In54 O276.001 -","36","1","","Fan, Weidong; Liu, Xiuping; Wang, Xia; Li, Yue; Xing, Chengyong; Wang, Yutong; Guo, Wenyue; Zhang, Liangliang; Sun, Daofeng","A fluorine-functionalized microporous In-MOF with high physicochemical stability for light hydrocarbon storage and separation","Inorganic Chemistry Frontiers","2018","5","10","2445","","10.1039/C8QI00652K","","x-ray","1.54184","CuKα","","0.108","0.0843","","","0.2674","0.2989","","","","","","1.092","","","","has coordinates","236914","2020-10-21","18:00:00",""
"4349879","36.244","0.008","36.244","0.008","36.244","0.008","90","","90","","90","","47611","18","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C35 H17 Cu2 N3 O11 -","- C35 H17 Cu2 N3 O11 -","- C840 H408 Cu48 N72 O264 -","24","0.25","","Zheng, Baishu; Luo, Xin; Wang, Zhaoxu; Zhang, Shaowei; Yun, Ruirui; Huang, Lu; Zeng, Wenjiang; Liu, Wenlong","An unprecedented water stable acylamide-functionalized metal‒organic framework for highly efficient CH4/CO2 gas storage/separation and acid‒base cooperative catalytic activity","Inorganic Chemistry Frontiers","2018","5","9","2355","","10.1039/C8QI00662H","","","0.71073","MoKα","","0.056","0.0466","","","0.1309","0.1375","","","","","","1.106","","","","has coordinates,has disorder","236916","2020-10-21","18:00:00",""
"4349880","11.255","0.003","12.65","0.0015","19.805","0.002","90","","90","","90","","2819.8","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 I N2 O5 Pt -","- C28 H35 I N2 O5 Pt -","- C112 H140 I4 N8 O20 Pt4 -","4","1","","Cucciolito, Maria Elena; De Luca Bossa, Ferdinando; Esposito, Roberto; Ferraro, Giarita; Iadonisi, Alfonso; Petruk, Ganna; D'Elia, Luigi; Romanetti, Claudia; Traboni, Serena; Tuzi, Angela; Monti, Daria Maria; Merlino, Antonello; Ruffo, Francesco","C-Glycosylation in platinum-based agents: a viable strategy to improve cytotoxicity and selectivity","Inorganic Chemistry Frontiers","2018","5","11","2921","","10.1039/C8QI00664D","","","0.71073","MoKα","","0.0315","0.0254","","","0.051","0.053","","","","","","1.077","","","","has coordinates","236918","2020-10-21","18:00:00",""
"4349881","43.0872","0.0019","21.8624","0.0009","26.6715","0.001","90","","114.837","0.001","90","","22800.4","1.6","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H204 Ce2 N12 Na2 O181 Te2 W37 -","- C10 H40 Ce2 N5 O147 Te2 W37 -","- C40 H160 Ce8 N20 O588 Te8 W148 -","4","0.5","","Yang, Guo-Ping; Shang, Shu-Xia; Yu, Bing; Hu, Chang-Wen","Ce(iii)-Containing tungstotellurate(vi) with a sandwich structure: an efficient Lewis acid‒base catalyst for the condensation cyclization of 1,3-diketones with hydrazines/hydrazides or diamines","Inorganic Chemistry Frontiers","2018","5","10","2472","","10.1039/C8QI00678D","","","0.71073","MoKα","","0.0715","0.0432","","","0.1094","0.1274","","","","","","1.077","","","","has coordinates,has disorder","236919","2020-10-21","18:00:00",""
"4349882","17.2385","0.0011","22.536","0.0014","23.4694","0.0015","90","","90","","90","","9117.6","1","153","2","153.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H44 N6 O6 Zn2 -","- C48 H44 N6 O6 Zn2 -","- C384 H352 N48 O48 Zn16 -","8","0.5","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0765","0.057","","","0.1411","0.1539","","","","","","1.059","","","","has coordinates","236921","2020-10-21","18:00:00",""
"4349883","28.9","0.02","16.978","0.014","22.451","0.018","90","","127.455","0.01","90","","8745","12","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N6 O6 Zn2 -","- C48 H38 N6 O6 Zn2 -","- C384 H304 N48 O48 Zn16 -","8","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.1285","0.0911","","","0.2521","0.2899","","","","","","1.032","","","","has coordinates,has disorder","236921","2020-10-21","18:00:00",""
"4349884","29.427","0.0019","16.46","0.001","22.586","0.0014","90","","128.488","0.001","90","","8563.1","0.9","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N6 O6 Zn2 -","- C36 H32 N6 O6 Zn2 -","- C288 H256 N48 O48 Zn16 -","8","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0848","0.056","","","0.1193","0.1341","","","","","","1.055","","","","has coordinates","236921","2020-10-21","18:00:00",""
"4349885","16.688","0.0017","22.617","0.002","23.535","0.002","90","","90","","90","","8882.9","1.4","153","2","153.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46.5 H44 N6 O6 Zn2 -","- C46.5 H44 N6 O6 Zn2 -","- C372 H352 N48 O48 Zn16 -","8","0.5","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0903","0.0687","","","0.1719","0.1828","","","","","","1.139","","","","has coordinates,has disorder","236921","2020-10-21","18:00:00",""
"4349886","28.3668","0.0017","16.5004","0.001","22.5401","0.0013","90","","126.749","0.001","90","","8453.5","0.9","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N6 O10 Zn2 -","- C40 H40 N6 O10 Zn2 -","- C320 H320 N48 O80 Zn16 -","8","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0624","0.0506","","","0.1323","0.1397","","","","","","1.07","","","","has coordinates,has disorder","236921","2020-10-21","18:00:00",""
"4349887","13.5057","0.0013","14.3267","0.0014","15.4396","0.0015","114.74","0.001","99.624","0.001","103.165","0.002","2522.9","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H78 Au2 F12 P4 Pd6 S10 -","- C108 H78 Au2 F12 P4 Pd6 S10 -","- C108 H78 Au2 F12 P4 Pd6 S10 -","1","0.5","","Du, Yuanxin; Xiang, Ji; Ni, Kun; Yun, Yapei; Sun, Guodong; Yuan, Xiaoyou; Sheng, Hongting; Zhu, Yanwu; Zhu, Manzhou","Design of atomically precise Au2Pd6 nanoclusters for boosting electrocatalytic hydrogen evolution on MoS2","Inorganic Chemistry Frontiers","2018","5","11","2948","","10.1039/C8QI00697K","","","0.71073","MoKα","","0.0646","0.0399","","","0.0828","0.0863","","","","","","1.071","","","","has coordinates","236923","2020-10-21","18:00:00",""
"4349888","14.8835","0.0003","18.8542","0.0004","15.3188","0.0003","90","","94.9294","0.0017","90","","4282.81","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 N4 O6 S3 Sm -","- C38 H22 F9 N4 O6 S3 Sm -","- C152 H88 F36 N16 O24 S12 Sm4 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.71073","MoKα","","0.0509","0.0356","","","0.0716","0.0788","","","","","","1.024","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349889","14.7615","0.0006","18.7778","0.0009","15.287","0.002","90","","94.459","0.008","90","","4224.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 Lu N4 O6 S3 -","- C38 H22 F9 Lu N4 O6 S3 -","- C152 H88 F36 Lu4 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.7107","MoKα","","0.0591","0.047","","","0.1133","0.1201","","","","","","1.058","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349890","24.2809","0.0013","10.2995","0.0007","16.5074","0.0008","90","","94.05","0.006","90","","4117.9","0.4","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C38 H22 F9 Gd N4 O6 S3 -","- C37.977 H22 F9 Gd N4 O6 S3 -","- C151.908 H88 F36 Gd4 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.7107","MoKα","","0.0767","0.0565","","","0.118","0.1287","","","","","","1.063","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349891","14.787","0.0004","18.7993","0.0005","15.3065","0.0003","90","","95.358","0.002","90","","4236.39","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 N4 O6 S3 Tm -","- C38 H22 F9 N4 O6 S3 Tm -","- C152 H88 F36 N16 O24 S12 Tm4 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.0622","0.0522","","","0.1373","0.1439","","","","","","1.048","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349892","10.2761","0.0003","21.4121","0.0009","18.9121","0.0007","90","","104.036","0.004","90","","4037","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 F9 N4 O6 S3 Tb -","- C38 H22 F9 N4 O6 S3 Tb -","- C152 H88 F36 N16 O24 S12 Tb4 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.1047","0.092","","","0.1996","0.2061","","","","","","1.151","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349893","24.2613","0.0011","10.2407","0.0005","16.5383","0.0006","90","","93.893","0.004","90","","4099.5","0.3","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C38 H23 Eu F9 N4 O6 S3 -","- C38 H23 Eu F9 N4 O6 S3 -","- C152 H92 Eu4 F36 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","0.71073","MoKα","","0.1165","0.0988","","","0.2146","0.2257","","","","","","1.166","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349894","10.2806","0.0008","21.385","0.003","18.8697","0.0016","90","","103.894","0.01","90","","4027.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Dy F9 N4 O6 S3 -","- C38 H22 Dy F9 N4 O6 S3 -","- C152 H88 Dy4 F36 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.1922","0.0976","","","0.2099","0.2691","","","","","","1.026","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349895","17.4079","0.0007","12.7965","0.0005","19.1081","0.0007","90","","92.492","0.004","90","","4252.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 F9 N4 Nd O6 S3 -","- C38 H22 F9 N4 Nd O6 S3 -","- C152 H88 F36 N16 Nd4 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.71073","MoKα","","0.0422","0.0334","","","0.0702","0.0755","","","","","","1.048","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349896","10.3064","0.0004","21.3468","0.0007","18.8868","0.0007","90","","104.004","0.004","90","","4031.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 F9 Ho N4 O6 S3 -","- C38 H22 F9 Ho N4 O6 S3 -","- C152 H88 F36 Ho4 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.1849","0.1593","","","0.4291","0.4484","","","","","","1.832","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349897","15.0472","0.0007","18.923","0.001","15.2845","0.0008","90","","95.551","0.004","90","","4331.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 N4 O6 Pr S3 -","- C38 H22 F9 N4 O6 Pr S3 -","- C152 H88 F36 N16 O24 Pr4 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.71073","MoKα","","0.0615","0.0429","","","0.0951","0.1125","","","","","","1.074","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349898","9.4511","0.0009","12.3922","0.0012","12.6894","0.0012","64.829","0.001","72.113","0.001","77.227","0.002","1273","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O7 Zn -","- C26 H32 N4 O7 Zn -","- C52 H64 N8 O14 Zn2 -","2","1","","Parmar, Bhavesh; Patel, Parth; Murali, Vishnu; Rachuri, Yadagiri; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Suresh, Eringathodi","Efficient heterogeneous catalysis by dual ligand Zn(ii)/Cd(ii) MOFs for the Knoevenagel condensation reaction: adaptable synthetic routes, characterization, crystal structures and luminescence studies","Inorganic Chemistry Frontiers","2018","5","10","2630","","10.1039/C8QI00744F","","","0.71073","MoKα","","0.0662","0.0623","","","0.1797","0.1841","","","","","","1.059","","","","has coordinates","236928","2020-10-21","18:00:00",""
"4349899","9.851","0.003","12.171","0.004","13.126","0.004","64.387","0.006","68.719","0.006","73.025","0.006","1305.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cd N4 O7 -","- C26 H32 Cd N4 O7 -","- C52 H64 Cd2 N8 O14 -","2","1","","Parmar, Bhavesh; Patel, Parth; Murali, Vishnu; Rachuri, Yadagiri; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Suresh, Eringathodi","Efficient heterogeneous catalysis by dual ligand Zn(ii)/Cd(ii) MOFs for the Knoevenagel condensation reaction: adaptable synthetic routes, characterization, crystal structures and luminescence studies","Inorganic Chemistry Frontiers","2018","5","10","2630","","10.1039/C8QI00744F","","","0.71073","MoKα","","0.1173","0.0786","","","0.1366","0.1509","","","","","","1.07","","","","has coordinates","236928","2020-10-21","18:00:00",""
"4349900","26.3989","0.0003","26.3989","0.0003","19.2174","0.0003","90","","90","","90","","13392.6","0.3","301.7","0.5","301.7","0.5","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C66 H36 N2 O13 Zn4 -","- C66 H36 N2 O13 Zn4 -","- C132 H72 N4 O26 Zn8 -","2","0.125","","Xia, Yu-Pei; Wang, Chen-Xue; An, Lian-Cai; Zhang, Da-Shuai; Hu, Tong-Liang; Xu, Jialiang; Chang, Ze; Bu, Xian-He","Utilizing an effective framework to dye energy transfer in a carbazole-based metal‒organic framework for high performance white light emission tuning","Inorganic Chemistry Frontiers","2018","5","11","2868","","10.1039/C8QI00747K","","x-ray","1.54184","CuKα","","0.0544","0.0486","","","0.1503","0.1562","","","","","","1.021","","","","has coordinates","236931","2020-10-21","18:00:00",""
"4349907","13.495","0.0006","13.7761","0.0005","26.8721","0.0008","90","","90","","90","","4995.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C31 H30 N4 O13 Zn2 -","- C31 H30 N4 O13 Zn2 -","- C124 H120 N16 O52 Zn8 -","4","1","","Liu, Xiuping; Hao, Chunlian; Li, Jing; Wang, Yutong; Hou, Yongchun; Li, Xue; Zhao, Lianming; Zhu, Houyu; Guo, Wenyue","An anionic metal‒organic framework: metathesis of zinc(ii) with copper(ii) for efficient C3/C2 hydrocarbon and organic dye separation","Inorganic Chemistry Frontiers","2018","5","11","2898","","10.1039/C8QI00773J","","x-ray","1.54184","CuKα","","0.1113","0.1064","","","0.2928","0.3008","","","","","","1.289","","","","has coordinates,has disorder","236935","2020-10-21","18:00:00",""
"4349908","12.526","0.003","12.021","0.002","13.124","0.003","90","","96.99","0.03","90","","1961.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl4 Mn N2 -","- C12 H28 Cl4 Mn N2 -","- C48 H112 Cl16 Mn4 N8 -","4","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","High quantum yield and unusual photoluminescence behaviour in tetrahedral manganese(ii) based on hybrid compounds","Inorganic Chemistry Frontiers","2018","5","10","2615","","10.1039/C8QI00793D","","","0.71073","MoKα","","0.1157","0.0645","","","0.0981","0.1121","","","","","","1.12","","","","has coordinates","236936","2020-10-21","18:00:00",""
"4349909","12.0944","0.0006","12.6583","0.0006","23.3484","0.0011","90","","90","","90","","3574.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C80 H192 Cl32 Mn8 N16 -","8","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","High quantum yield and unusual photoluminescence behaviour in tetrahedral manganese(ii) based on hybrid compounds","Inorganic Chemistry Frontiers","2018","5","10","2615","","10.1039/C8QI00793D","","","0.71073","MoKα","","0.0772","0.0654","","","0.177","0.1853","","","","","","1.004","","","","has coordinates","236936","2020-10-21","18:00:00",""
"4349910","8.5612","0.0003","15.4837","0.0005","17.4652","0.0006","90","","94.758","0.003","90","","2307.19","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl2 Dy N3 O8 -","- C16 H26 Cl2 Dy N3 O8 -","- C64 H104 Cl8 Dy4 N12 O32 -","4","1","","Ma, Fang; Xiong, Jin; Meng, Yin-Shan; Yang, Jing; Sun, Hao-Ling; Gao, Song","Rational construction of a porous lanthanide coordination polymer featuring reversible guest-dependent magnetic relaxation behavior","Inorganic Chemistry Frontiers","2018","5","11","2875","","10.1039/C8QI00814K","","x-ray","0.71073","MoKα","","0.0555","0.0379","","","0.0675","0.0762","","","","","","1.051","","","","has coordinates","236938","2020-10-21","18:00:00",""
"4349911","11.0697","0.0015","11.7807","0.0016","12.2202","0.0017","62.152","0.014","71.245","0.012","81.049","0.011","1334.2","0.4","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl Dy N5 O10 -","- C24 H22 Cl Dy N5 O10 -","- C48 H44 Cl2 Dy2 N10 O20 -","2","1","","Ma, Fang; Xiong, Jin; Meng, Yin-Shan; Yang, Jing; Sun, Hao-Ling; Gao, Song","Rational construction of a porous lanthanide coordination polymer featuring reversible guest-dependent magnetic relaxation behavior","Inorganic Chemistry Frontiers","2018","5","11","2875","","10.1039/C8QI00814K","","x-ray","1.54184","CuKα","","0.1141","0.1014","","","0.2851","0.3087","","","","","","1.089","","","","has coordinates,has disorder","236938","2020-10-21","18:00:00",""
"4349912","11.8598","0.0006","12.0997","0.0007","13.4297","0.0007","102.794","0.005","98.239","0.004","117.449","0.005","1599.3","0.19","100.03","0.11","100.03","0.11","","","","","","","","6","P -1","-P 1","2","","dpbo","","- C27 H34 Cl Dy N5 O13 -","- C27 H34 Cl Dy N5 O13 -","- C54 H68 Cl2 Dy2 N10 O26 -","2","1","","Ma, Fang; Xiong, Jin; Meng, Yin-Shan; Yang, Jing; Sun, Hao-Ling; Gao, Song","Rational construction of a porous lanthanide coordination polymer featuring reversible guest-dependent magnetic relaxation behavior","Inorganic Chemistry Frontiers","2018","5","11","2875","","10.1039/C8QI00814K","","x-ray","0.71073","MoKα","","0.0703","0.0543","","","0.0986","0.1089","","","","","","1.03","","","","has coordinates","236938","2020-10-21","18:00:00",""
"4349913","11.142","0.005","11.794","0.004","13.105","0.004","65.193","0.013","77.627","0.017","89.043","0.016","1521.7","1","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H52 I16 N4 O2 Sb4 -","- C16 H52 I16 N4 O2 Sb4 -","- C16 H52 I16 N4 O2 Sb4 -","1","0.5","","Khan, Asma; Han, Shiguo; Liu, Xitao; Tao, Kewen; Dey, Dhananjay; Luo, Junhua; Sun, Zhihua","A new antimony-based organic‒inorganic hybrid absorber with photoconductive response","Inorganic Chemistry Frontiers","2018","5","12","3028","","10.1039/C8QI00902C","","x-ray","0.71073","MoKα","","0.035","0.027","","","0.0584","0.0646","","","","","","1.14","","","","has coordinates","236939","2020-10-21","18:00:00",""
"4349914","15.6458","0.0013","19.5934","0.0017","23.431","0.002","90","","90","","90","","7182.9","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H39 F6 Ir N7 P -","- C36 H39 F6 Ir N7 P -","- C288 H312 F48 Ir8 N56 P8 -","8","1","","Tian, Zhenzhen; Yang, Yuliang; Guo, Lihua; Zhong, Genshen; Li, Juanjuan; Liu, Zhe","Dual-functional cyclometalated iridium imine NHC complexes: highly potent anticancer and antimetastatic agents","Inorganic Chemistry Frontiers","2018","5","12","3106","","10.1039/C8QI00920A","","","0.71073","MoKα","","0.0739","0.0329","","","0.0628","0.0726","","","","","","1.098","","","","has coordinates,has disorder","236941","2020-10-21","18:00:00",""
"4349917","32.1419","0.0009","18.5746","0.0002","28.3151","0.0006","90","","112.511","0.003","90","","15616.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cu6 O30 S6 -","- C66 H36 Cu6 O30 S6 -","- C264 H144 Cu24 O120 S24 -","4","0.5","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Zhang, Yingying; Zhong, Haoyan; Long, Piao; Wang, Xia; He, Yabing","Two NbO-type MOFs based on linear and zigzag diisophthalate ligands: exploring the effect of ligand-originated MOF isomerization on gas adsorption properties","Inorganic Chemistry Frontiers","2018","5","11","2811","","10.1039/C8QI00946E","","","0.71073","MoKα","","0.1113","0.1017","","","0.2934","0.3042","","","","","","1.06","","","","has coordinates","236945","2020-10-21","18:00:00",""
"4349918","18.4854","0.0003","18.4854","0.0003","44.3369","0.001","90","","90","","120","","13120.6","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H12 Cu2 O10 S2 -","- C22 H12 Cu2 O10 S2 -","- C198 H108 Cu18 O90 S18 -","9","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Zhang, Yingying; Zhong, Haoyan; Long, Piao; Wang, Xia; He, Yabing","Two NbO-type MOFs based on linear and zigzag diisophthalate ligands: exploring the effect of ligand-originated MOF isomerization on gas adsorption properties","Inorganic Chemistry Frontiers","2018","5","11","2811","","10.1039/C8QI00946E","","","1.54184","CuKα","","0.0737","0.0698","","","0.2844","0.2959","","","","","","1.393","","","","has coordinates","236945","2020-10-21","18:00:00",""
"4349943","12.6762","0.0009","13.0303","0.0004","19.2205","0.001","101.791","0.004","101.667","0.005","111.029","0.005","2765.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Dy3 N14 O18 -","- C46 H45 Dy3 N14 O18 -","- C92 H90 Dy6 N28 O36 -","2","1","","Zhu, Zhong-Hong; Ma, Xiong-Feng; Wang, Hai-Ling; Zou, Hua-Hong; Mo, Kai-Qiang; Zhang, Yi-Quan; Yang, Qi-Zhen; Li, Bo; Liang, Fu-Pei","A triangular Dy3 single-molecule toroic with high inversion energy barrier: magnetic properties and multiple-step assembly mechanism","Inorganic Chemistry Frontiers","2018","5","12","3155","","10.1039/C8QI01069B","","x-ray","0.71073","MoKα","","0.0784","0.0504","","","0.1274","0.1426","","","","","","1.05","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4500068","16.8018","0.0008","16.8018","0.0008","7.1674","0.0004","90","","90","","90","","2023.36","0.18","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","I 41/a :2","-I 4ad","88","tetrakis(4-aminophenyl)methane","tetrakis(4-aminophenyl)methane","","- C25 H24 N4 -","- C25 H24 N4 -","- C100 H96 N16 -","4","0.25","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0475","0.0412","","","0.1191","0.1245","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500069","12.7089","0.0001","12.7089","0.0001","8.2149","0.0001","90","","90","","90","","1326.84","0.02","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C29 H32 N4 O4 -","- C29 H32 N4 O4 -","- C58 H64 N8 O8 -","2","0.25","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0321","0.0312","","","0.0849","0.0857","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500070","10.6545","0.0019","14.404","0.003","29.086","0.005","90","","90","","90","","4463.8","1.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H25.5 N4.5 O1.5 -","- C26.5 H25.5 N4.5 O1.5 -","- C212 H204 N36 O12 -","8","2","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0879","0.07","","","0.2008","0.2314","","","","","","1.232","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500071","32.927","0.0017","9.33","0.007","21.448","0.003","90","","99.103","0.012","90","","6506","5","290","2","290","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24.667 N4 O0.333 -","- C26 H24 N4 O0.333333 -","- C312 H288 N48 O4 -","12","3","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0898","0.0837","","","0.1889","0.1907","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500072","6.0353","0.0002","24.6349","0.0006","28.1607","0.0007","90","","90","","90","","4186.9","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 N6 O7 -","- C46 H52 N6 O7 -","- C184 H208 N24 O28 -","4","1","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0725","0.0495","","","0.1229","0.1408","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500073","12.2162","0.001","21.2975","0.0017","30.884","0.002","93.026","0.003","94.69","0.004","96.419","0.003","7942.5","1","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C134.5 H128 N40 O7.5 S5 -","- C134.5 H128 N40 O7.5 S5 -","- C269 H256 N80 O15 S10 -","2","1","","Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]","Cryst. Growth & Design","2005","5","","1227","1235","10.1021/cg049575o","","","1.54178","CuKα","","0.1295","0.0929","","","0.2332","0.24","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500074","13.458","0.002","17.788","0.002","20.721","0.003","81.076","0.008","74.96","0.008","70.755","0.008","4509.6","1.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C150 H178 N40 O17 S14 -","- C144 H88 N40 O13 S11 -","- C144 H88 N40 O13 S11 -","1","1","","Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]","Cryst. Growth & Design","2005","5","","1227","1235","10.1021/cg049575o","","","1.54178","CuKα","","0.104","0.0957","","","0.2236","0.2289","","","","","","1.107","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500075","8.7222","0.0002","10.4838","0.0002","16.7599","0.0004","85.288","0.002","88.006","0.002","70.332","0.002","1438.22","0.06","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C31 H24 N4 O11 -","- C31 H24 N4 O11 -","- C62 H48 N8 O22 -","2","1","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0692","0.0616","","","0.1794","0.1879","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500076","14.006","0.0003","15.852","0.0003","14.318","0.0004","90","","99.78","0.002","90","","3132.73","0.13","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H14 Cl6 N4 -","- C31 H14 Cl6 N4 -","- C124 H56 Cl24 N16 -","4","0.5","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.5418","CuKα","","0.0719","0.069","","","0.1648","0.1665","","","","","","1.019","","","","has coordinates,has disorder","301842","2025-08-21","00:37:08",""
"4500077","16.116","0.0008","16.2973","0.0008","18.7307","0.0009","64.223","0.003","69.471","0.003","89.408","0.003","4089.3","0.4","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C102 H64 N8 O18 -","- C102 H64 N8 O18 -","- C204 H128 N16 O36 -","2","1","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0785","0.0687","","","0.1591","0.1605","","","","","","1.005","","","","has coordinates,has disorder","301842","2025-08-21","00:37:08",""
"4500078","13.3274","0.0006","14.2569","0.0007","14.8016","0.0007","93.161","0.003","98.071","0.003","109.723","0.003","2605.3","0.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C65 H52 N4 O6 -","- C65 H52 N4 O6 -","- C130 H104 N8 O12 -","2","1","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0719","0.0567","","","0.1776","0.1884","","","","","","1.102","","","","has coordinates,has disorder","301842","2025-08-21","00:37:08",""
"4500079","12.3873","0.0003","12.3873","0.0003","24.1863","0.0007","90","","90","","90","","3711.27","0.17","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","","","","- C49 H28 N4 O8 -","- C49 H28 N4 O8 -","- C196 H112 N16 O32 -","4","0.25","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.044","0.0429","","","0.1096","0.1104","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500080","13.2114","0.0009","13.2114","0.0009","21.539","0.003","90","","90","","90","","3759.4","0.6","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","I 41/a :2","-I 4ad","88","","","","- C53 H28 N4 -","- C53 H28 N4 -","- C212 H112 N16 -","4","0.25","","Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest","Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes","Cryst. Growth & Design","2005","5","","1237","1245","10.1021/cg049590t","","","1.54178","CuKα","","0.0664","0.0629","","","0.1509","0.1517","","","","","","1.063","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4504834","9.557","0.002","9.922","0.003","10.7","0.003","113.32","0.02","97.01","0.02","89.95","0.02","923.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H32 N O3.5 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.7093","MoKα","","0.1157","0.0864","","","0.2722","0.2997","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504835","8.552","0.0011","8.9702","0.0012","10.2765","0.0014","83.15","0.002","67.768","0.002","70.608","0.002","688.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N O2 -","- C14 H24 N O2 -","- C28 H48 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0573","0.0494","","","0.1323","0.1388","","","","","","1.041","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504836","15.7571","0.0014","20.4569","0.0018","22.128","0.002","90","","90.719","0.002","90","","7132.2","1.1","293","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H112 N4 O8 -","- C76 H112 N4 O8 -","- C304 H448 N16 O32 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0883","0.0538","","","0.1376","0.1557","","","","","","1.028","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504837","10.4672","0.0017","11.4926","0.0019","13.068","0.002","75.368","0.003","75.277","0.003","84.51","0.003","1470.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 N2 O4 -","- C32 H52 N2 O4 -","- C64 H104 N4 O8 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0533","0.0507","","","0.1392","0.142","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504838","8.9399","0.0007","19.3683","0.0015","20.2739","0.0015","90","","90","","90","","3510.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H60 N2 O5 -","- C35 H60 N2 O5 -","- C140 H240 N8 O20 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0434","0.0399","","","0.097","0.0991","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504839","9.136","0.003","9.681","0.003","12.462","0.003","105.299","0.004","111.071","0.004","96.687","0.005","964.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O4 -","- C20 H29 N O4 -","- C40 H58 N2 O8 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0792","0.0731","","","0.2117","0.2182","","","","","","1.125","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504840","6.7129","0.0008","9.6624","0.0011","13.4553","0.0016","106.402","0.002","97.426","0.002","107.732","0.002","775.01","0.16","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","Bis(N-methylethylenediammonium hydrate)dodecachloro- Tetracadmate(II) dihydrate","","- C3 H16 Cd2 Cl6 N2 O2 -","- C3 H5.5 Cd2 Cl6 N2 O2 -","- C6 H11 Cd4 Cl12 N4 O4 -","2","1","","Thorn, Adrienne; Willett, Roger D.; Twamley, Brendan","Retro-Crystal Engineering Analysis of TwoN-Methylethylenediammonium Cadmium Halide Salts Obtained by Dimensional Reduction and Recombination of the Hexagonal CdX2Lattice","Crystal Growth & Design","2005","5","2","673","","10.1021/cg030059s","","","0.71073","MoKα","","0.0499","0.0307","","","0.072","0.0798","","","","","","1.203","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504841","8.0197","0.0008","10.3911","0.001","13.4772","0.0013","76.223","0.002","81.478","0.002","67.596","0.002","1006.39","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(N-methylethylenediammonium hydrate)octabromide- tricadmate(II) hydrate","","- C3 H13 Br8 Cd3 N2 O1.59 -","- C3 H12 Br8 Cd3 N2 O1.619 -","- C6 H24 Br16 Cd6 N4 O3.238 -","2","1","","Thorn, Adrienne; Willett, Roger D.; Twamley, Brendan","Retro-Crystal Engineering Analysis of TwoN-Methylethylenediammonium Cadmium Halide Salts Obtained by Dimensional Reduction and Recombination of the Hexagonal CdX2Lattice","Crystal Growth & Design","2005","5","2","673","","10.1021/cg030059s","","","0.71073","MoKα","","0.0684","0.037","","","0.0837","0.0961","","","","","","0.941","","","","has coordinates,has disorder","179583","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","301842","2025-08-21","00:37:15",""
"4504843","8.738","0.004","9.057","0.003","14.888","0.005","90","","95.454","0.012","90","","1172.9","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Br N2 -","- C9 H17 Br N2 -","- C36 H68 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","","0.0761","0.0522","","","0.1204","0.1283","","","","","","1.074","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4504844","8.033","0.004","9.962","0.005","14.235","0.007","90","","106.328","0.009","90","","1093.2","0.9","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-di(iso-propyl)imidazolium bromide","","- C9 H17 Br N2 -","- C9 H17 Br N2 -","- C36 H68 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","","0.0337","0.0263","","","0.0577","0.0603","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504845","8.956","0.003","15.313","0.005","11.66","0.004","90","","94.62","0.02","90","","1593.9","0.9","293","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","'cocrystal of 1-methyl-3-n-butyl imidazolium bromide with paraphenilendiamine","","- C14 H23 Br N4 -","- C14 H23 Br N4 -","- C56 H92 Br4 N16 -","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","","0.0671","0.0487","","","0.0959","0.1","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504846","34.9491","0.0003","17.4843","0.0002","24.7004","0.0003","90","","98.497","0.001","90","","14927.8","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C150.2 H118.2 Ag4 Cl6.6 F12 O24 P4 -","- C150.2 H118.2 Ag4 Cl6.6 F12 O24 P4 -","- C600.8 H472.8 Ag16 Cl26.4 F48 O96 P16 -","4","0.5","","Eisler, Dana J.; Puddephatt, Richard J.","Self-Assembly of Coordination Polymers from Tetraphosphinitoresorcinarene Complexes of Silver(I)","Crystal Growth & Design","2005","5","1","57","","10.1021/cg034203l","","","0.71073","MoKα","","0.1031","0.0791","","","0.2213","0.2423","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504847","24.2596","0.0001","23.8932","0.0001","26.6121","0.0002","90","","92.363","0.001","90","","15412.3","0.15","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C152 H140 Ag4 Cl4 F12 O31 P4 S4 -","- C152 H140 Ag4 Cl4 F12 O31 P4 S4 -","- C608 H560 Ag16 Cl16 F48 O124 P16 S16 -","4","1","","Eisler, Dana J.; Puddephatt, Richard J.","Self-Assembly of Coordination Polymers from Tetraphosphinitoresorcinarene Complexes of Silver(I)","Crystal Growth & Design","2005","5","1","57","","10.1021/cg034203l","","","0.71073","MoKα","","0.0934","0.069","","","0.1873","0.2091","","","","","","1.017","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504848","15.099","0.004","35.962","0.01","14.662","0.004","90","","102.29","0.005","90","","7779","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H74 N4 Na O25.5 S8 -","- C72 H65 N4 Na O25.5 S8 -","- C288 H260 N16 Na4 O102 S32 -","4","1","","Liu, Yu; Wang, Hao; Zhang, Heng-Yi; Wang, Li-Hua","Layered Assembly Formed by Benzyl Viologen andp-Sulfonatothiacalix[4]arene and Their Complexation Thermodynamics","Crystal Growth & Design","2005","5","1","231","","10.1021/cg0342157","","","0.71073","MoKα","","0.1602","0.0809","","","0.171","0.2094","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504849","6.7051","0.0001","31.4258","0.0006","10.5128","0.0003","90","","100.936","0.0006","90","","2174.96","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Mn N6 O7 S2 -","- C14 H22 Mn N6 O7 S2 -","- C56 H88 Mn4 N24 O28 S8 -","4","1","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.1081","0.0519","","","0.1307","0.1484","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504850","5.6867","0.0011","7.7266","0.0015","7.7669","0.0016","66.61","0.03","85.83","0.03","88.36","0.03","312.4","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Mn N8 O4 -","- C6 H12 Mn N8 O4 -","- C6 H12 Mn N8 O4 -","1","0.5","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.0469","0.0388","","","0.0997","0.1033","","","","","","1.367","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504851","6.5035","0.0007","7.287","0.0006","7.5566","0.0008","70.18","0.006","80.994","0.007","86.808","0.008","332.75","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Mn N8 O2 -","- C10 H8 Mn N8 O2 -","- C10 H8 Mn N8 O2 -","1","0.5","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.0523","0.0398","","","0.0941","0.0971","","","","","","1.465","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504852","9.3968","0.0008","11.5836","0.0004","13.1449","0.0007","90","","97.382","0.006","90","","1418.95","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Mn N8 O3 -","- C10 H12 Mn N8 O3 -","- C40 H48 Mn4 N32 O12 -","4","0.5","","Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R.","Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions","Crystal Growth & Design","2005","5","1","269","","10.1021/cg034223n","","","0.71073","MoKα","","0.0648","0.0369","","","0.089","0.0999","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504853","14.1063","0.0009","7.6324","0.0004","15.6342","0.001","90","","114.183","0.002","90","","1535.54","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cu O8 -","- C14 H8 Cu O8 -","- C56 H32 Cu4 O32 -","4","1","","Wang, Ruihu; Zhou, Youfu; Sun, Yanqiong; Yuan, Daqiang; Han, Lei; Lou, Benyong; Wu, Benlai; Hong, Maochun","Syntheses and Crystal Structures of Copper(II) Coordination Polymers Comprising Discrete Helical Chains","Crystal Growth & Design","2005","5","1","251","","10.1021/cg034237t","","","0.71073","MoKα","","0.0829","0.0778","","","0.1886","0.1918","","","","","","1.256","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504854","20.194","0.002","9.5131","0.0009","11.4251","0.0012","90","","117.022","0.002","90","","1955.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu0.5 N O2 -","- C12 H8 Cu0.5 N O2 -","- C96 H64 Cu4 N8 O16 -","8","1","","Wang, Ruihu; Zhou, Youfu; Sun, Yanqiong; Yuan, Daqiang; Han, Lei; Lou, Benyong; Wu, Benlai; Hong, Maochun","Syntheses and Crystal Structures of Copper(II) Coordination Polymers Comprising Discrete Helical Chains","Crystal Growth & Design","2005","5","1","251","","10.1021/cg034237t","","","0.71073","MoKα","","0.0532","0.0398","","","0.0955","0.105","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504855","22.073","0.002","15.3244","0.0016","16.022","0.0016","90","","125.849","0.002","90","","4392.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cu N2 O4 -","- C26 H18 Cu N2 O4 -","- C208 H144 Cu8 N16 O32 -","8","1","","Wang, Ruihu; Zhou, Youfu; Sun, Yanqiong; Yuan, Daqiang; Han, Lei; Lou, Benyong; Wu, Benlai; Hong, Maochun","Syntheses and Crystal Structures of Copper(II) Coordination Polymers Comprising Discrete Helical Chains","Crystal Growth & Design","2005","5","1","251","","10.1021/cg034237t","","","0.71073","MoKα","","0.1516","0.0948","","","0.1538","0.1788","","","","","","1.244","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504856","8.2881","0.0019","8.2881","0.0019","10.566","0.003","90","","90","","120","","628.6","0.3","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","en-pillared layered zinc hydroxysulphate","","","- C H16 N O13 S Zn4 -","- C0.99 H9.96 N O12.97 S Zn4 -","- C1.98 H19.92 N2 O25.94 S2 Zn8 -","2","0.333333","","Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.","Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates","Crystal Growth & Design","2005","5","1","183","","10.1021/cg034242x","","","0.6941","Synchrotron","","0.0549","0.0463","","","0.1152","0.1188","","","","","","1.08","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504857","21.926","0.002","21.926","0.002","10.5643","0.0009","90","","90","","120","","4398.4","0.7","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","","","","- C7 H106 N7 O88 S7 Zn28 -","- C6.99 H69.96 N6.99 O88 S7 Zn28 -","- C13.98 H139.92 N13.98 O176 S14 Zn56 -","2","0.333333","","Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.","Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates","Crystal Growth & Design","2005","5","1","183","","10.1021/cg034242x","","","0.6923","Synchrotron","","0.0957","0.0481","","","0.1369","0.1555","","","","","","0.882","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504858","26.186","0.005","13.52","0.003","19.559","0.004","90","","106.6","0.03","90","","6636","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H48 Mo8 N12 Ni3 O48 P V8 -","- C12 H48 Mo8 N12 Ni3 O48 P V8 -","- C48 H192 Mo32 N48 Ni12 O192 P4 V32 -","4","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","3D Supramolecular Array Assembled by Cross-like Arrangement of 1D Sandwich Mixed Molybdenum−Vanadium Polyoxometalate Bridged Coordination Polymer Chains: Hydrothermal Synthesis and Crystal Structure of {[MoVI5MoV3VIV8O40(PO4)][Ni(en)2]}[Ni(en)2]2·4H2O","Crystal Growth & Design","2005","5","4","1639","","10.1021/cg049556e","","","0.71073","MoKα","","0.058","0.0371","","","0.0948","0.0987","","","","","","0.932","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504859","13.7913","0.0013","13.7913","0.0013","11.728","0.002","90","","90","","120","","1931.8","0.4","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H72 Br2 Li2 O6 P6 -","- C78 H72 Br2 Li2 O6 P6 -","- C78 H72 Br2 Li2 O6 P6 -","1","0.166667","","Liu, Xi; Guo,; Liu, Bin; Chen, Wen-Tong; Huang, Jin-Shun","A Novel 2-D Honeycomb-like Lithium Coordination Polymer Containing 42-Membered Rings","Crystal Growth & Design","2005","5","3","841","","10.1021/cg049570r","","","0.71073","MoKα","","0.0907","0.0554","","","0.1254","0.1413","","","","","","1.003","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504860","9.2133","0.0011","11.6848","0.0013","12.1071","0.0015","104.058","0.009","98.623","0.008","94.9","0.007","1239.9","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","3-[(benzimidazol-1-yl)methyl]benzamide","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","2","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0894","0.051","","","0.1208","0.1409","","","","","","0.988","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504861","9.9852","0.0013","15.912","0.002","8.368","0.0013","90","","93.48","0.009","90","","1327.1","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2-methylbenzimidazol-1-yl)methyl]benzamide","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.1462","0.0514","","","0.1119","0.148","","","","","","0.895","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504862","8.8067","0.0007","11.8803","0.0012","14.0856","0.0015","74.8","0.004","72.485","0.005","68.786","0.004","1290.5","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","3-[(2-chlorobenzimidazol-1-yl)methyl]-benzamide","","- C15 H12 Cl N3 O -","- C15 H12 Cl N3 O -","- C60 H48 Cl4 N12 O4 -","4","2","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0653","0.0438","","","0.1209","0.1305","","","","","","1.007","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504863","6.0212","0.001","12.4652","0.0019","19.166","0.003","90","","90","","90","","1438.5","0.4","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(2-chlorobenzimidazol-1-yl)methyl]benzamide","","- C15 H14 Cl N3 O2 -","- C15 H14 Cl N3 O2 -","- C60 H56 Cl4 N12 O8 -","4","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0602","0.0382","","","0.0755","0.0821","","","","","","0.937","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504864","7.5178","0.0009","9.185","0.0011","15.085","0.0015","105.516","0.006","100.6","0.007","100.339","0.008","957.4","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","3-[(benzimidazol-1-yl)methyl]benzamide, 4-nitrobenzoic acid","","- C22 H18 N4 O5 -","- C22 H18 N4 O5 -","- C44 H36 N8 O10 -","2","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0794","0.0529","","","0.1338","0.1513","","","","","","0.977","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504865","7.5292","0.0005","11.098","0.0008","17.2512","0.0011","81.865","0.004","77.854","0.003","74.581","0.004","1352.89","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-[(2-methylbenzimidazol-1-yl)methyl]PhCOOH,(4-NO2PhCOOH)2","","- C30 H25 N5 O9 -","- C30 H25 N5 O9 -","- C60 H50 N10 O18 -","2","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.1211","0.0491","","","0.1016","0.1269","","","","","","0.837","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504866","11.902","0.004","11.061","0.003","3.9951","0.0013","90","","90.849","0.007","90","","525.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H7 Br2 N -","- C12 H7 Br2 N -","- C24 H14 Br4 N2 -","2","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0775","0.0705","","","0.1759","0.1812","","","","","","0.998","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504867","22.6571","0.0003","4.0725","0.0001","12.5717","0.0002","90","","90","","90","","1160","0.04","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N -","- C13 H9 Br2 N -","- C52 H36 Br8 N4 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","1.54178","CuKα","","0.0284","0.0279","","","0.0719","0.0724","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504868","7.9369","0.0015","5.8669","0.0009","20.412","0.003","90","","91.607","0.006","90","","950.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br N -","- C12 H8 Br N -","- C48 H32 Br4 N4 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0695","0.0604","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504869","17.661","0.004","8.0855","0.0019","39.543","0.008","90","","90.065","0.008","90","","5647","2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H37 N3 -","- C35 H37 N3 -","- C280 H296 N24 -","8","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","1.54178","CuKα","","0.1021","0.0898","","","0.2457","0.2556","","","","","","1.043","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4504870","9.0912","0.0004","7.8877","0.0003","72.467","0.003","90","","91.103","0.003","90","","5195.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C59 H85 N3 -","- C59 H85 N3 -","- C236 H340 N12 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","1.54178","CuKα","","0.0622","0.0547","","","0.1387","0.1429","","","","","","1.139","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504871","6.5057","0.001","8.2178","0.0011","55.034","0.009","90","","91.781","0.002","90","","2940.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 N3 O2 -","- C35 H37 N3 O2 -","- C140 H148 N12 O8 -","4","1","","Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.","Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole","Crystal Growth & Design","2005","5","4","1443","","10.1021/cg049580s","","","0.71069","MoKα","","0.0809","0.0723","","","0.1635","0.1717","","","","","","1.185","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504872","12.1597","0.0002","19.8671","0.0004","15.6274","0.0002","90","","93.923","0.001","90","","3766.39","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(4-methylphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone DMSO solvate","","- C48 H36 O3 S -","- C48 H36 O3 S -","- C192 H144 O12 S4 -","4","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1686","0.0664","","","0.1362","0.1756","","","","","","0.98","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504873","8.9035","0.0002","13.1202","0.0003","18.6112","0.0006","102.77","0.001","97.995","0.001","102.662","0.001","2028.16","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(3-methylphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone DMSO solvate","","- C50 H42 O4 S2 -","- C50 H42 O4 S2 -","- C100 H84 O8 S4 -","2","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1243","0.0549","","","0.0993","0.1212","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504874","40.5767","0.0008","13.9347","0.0004","27.1523","0.0008","90","","120.821","0.001","90","","13184.4","0.6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(3-methoxyphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone","","- C92 H60 O8 -","- C92 H60 O8 -","- C736 H480 O64 -","8","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.2749","0.0945","","","0.1724","0.2378","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504875","9.7057","0.0001","17.595","0.0002","20.9577","0.0003","72.196","0.001","81.517","0.001","77.065","0.001","3309.03","0.07","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(4-methoxyphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone","","- C92 H60 O8 -","- C92 H60 O8 -","- C184 H120 O16 -","2","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.0713","0.0465","","","0.106","0.1186","","","","","","1.024","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504876","15.332","0.0003","12.9255","0.0004","17.0902","0.0004","90","","103.065","0.003","90","","3299.16","0.15","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-fluoren-9-ylidene-2-[9-(3-oxo-3-(4-chlorophenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone DMSO solvate","","- C44 H24 Cl2 O2 -","- C44 H24 Cl2 O2 -","- C176 H96 Cl8 O8 -","4","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1987","0.0728","","","0.1487","0.19","","","","","","0.988","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504877","12.0801","0.0002","18.5467","0.0003","14.5798","0.0003","90","","108.928","0.001","90","","3089.91","0.1","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,4,4-tetraphenyl-3,6-dibenzoylhexa-1,2-diene-5-yne","","- C44 H30 O2 -","- C44 H30 O2 -","- C176 H120 O8 -","4","1","","Scott, Janet L.; Tanaka, Koichi","Photochromic Crystals: Toward an Understanding of Color Development in the Solid State","Crystal Growth & Design","2005","5","3","1209","","10.1021/cg049591l","","","0.71073","MoKα","","0.1392","0.0579","","","0.0989","0.123","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504878","8.2277","0.0016","13.182","0.003","8.2269","0.0016","94.89","0.03","107.19","0.03","85.08","0.03","847.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Mn2 N2 O11 -","- C14 H10 Mn2 N2 O11 -","- C28 H20 Mn4 N4 O22 -","2","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0644","0.0536","","","0.1283","0.1363","","","","","","1.124","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504879","9.834","0.002","5.5508","0.0011","14.372","0.003","90","","104.91","0.03","90","","758.1","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 N O4 Pb -","- C7 H3 N O4 Pb -","- C28 H12 N4 O16 Pb4 -","4","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0511","0.0454","","0.1028","0.1003","","","","1.114","1.13","1.13","","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504880","21.488","0.004","10.875","0.002","16.501","0.003","90","","115.83","0.03","90","","3470.7","1.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Cd N3 O4 -","- C19 H11 Cd N3 O4 -","- C152 H88 Cd8 N24 O32 -","8","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0426","0.0313","","","0.0662","0.0693","","","","","","1.052","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504881","12.71","0.003","10.176","0.002","13.658","0.003","90","","107.15","0.03","90","","1687.9","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O5 Zn -","- C19 H13 N3 O5 Zn -","- C76 H52 N12 O20 Zn4 -","4","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0608","0.0411","","","0.0839","0.0885","","","","","","1.051","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504882","7.1084","0.0014","11.495","0.002","11.91","0.002","107.28","0.03","104.18","0.03","90.19","0.03","897.9","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 O13 Zn2 -","- C14 H6 N2 O13 Zn2 -","- C28 H12 N4 O26 Zn4 -","2","1","","Wei, Yongli; Hou, Hongwei; Li, Linke; Fan, Yaoting; Zhu, Yu","From Dicarboxylic Acid to Tetranuclear Metallamacrocyclic Complex and 1D and 2D Polymers","Crystal Growth & Design","2005","5","4","1405","","10.1021/cg049596i","","","0.71073","MoKα","","0.0898","0.0812","","","0.2194","0.2265","","","","","","1.128","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504883","12.256","0.005","33.236","0.011","8.387","0.002","90","","90","","90","","3416","2","298","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 N3 O S -","- C21 H14 N3 O S -","- C168 H112 N24 O8 S8 -","8","1","","Yao, Masaru; Asakura, Satoshi; Abe, Masahiro; Inoue, Hidenari; Yoshioka, Naoki","Formation of a One-Dimensional Stacking Structure of π-Conjugated Nitroxyl Radical Bearing a 1,2,5-Thiadiazole Ring and Its Magnetic Property","Crystal Growth & Design","2005","5","2","413","","10.1021/cg049599v","","","0.71073","MoKα","","","0.049","","","","0.137","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504884","11.173","0.001","12.536","0.002","13.026","0.001","90","","90.916","0.009","90","","1824.2","0.4","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N O -","- C25 H18 N O -","- C100 H72 N4 O4 -","4","1","","Yao, Masaru; Asakura, Satoshi; Abe, Masahiro; Inoue, Hidenari; Yoshioka, Naoki","Formation of a One-Dimensional Stacking Structure of π-Conjugated Nitroxyl Radical Bearing a 1,2,5-Thiadiazole Ring and Its Magnetic Property","Crystal Growth & Design","2005","5","2","413","","10.1021/cg049599v","","","1.5418","CuKα","","","0.044","","","","0.128","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504885","8.618","0.005","11.028","0.006","11.126","0.006","64.06","0.05","80.57","0.05","73.21","0.05","909.5","1","200","","200","","","","","","","","","4","P -1","-P 1","2","","[La(bta)(OH2)2]-4.5(H2O)","","- C12 H22 La O12.5 -","- C12 H9 La O12.5 -","- C24 H18 La2 O25 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0415","0.0262","","","0.0559","0.0578","","","","","","0.907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504886","8.582","0.005","10.956","0.006","11.217","0.007","64.17","0.018","79.98","0.02","73.431","0.019","908.4","0.9","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Ce(bta)(H2O)2]-4(H2O)","","- C12 H21 Ce O12 -","- C12 H9 Ce O12 -","- C24 H18 Ce2 O24 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.1205","0.0763","","","0.1716","0.1797","","","","","","1","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504887","8.541","0.004","10.909","0.005","11.198","0.005","64.153","0.014","79.902","0.015","73.711","0.014","899.6","0.7","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Pr(bta)(H2O)2]-2.88(H2O)-0.35EtOH","","- C12.69 H22.34 O11.98 Pr -","- C12.694 H10.735 O11.98 Pr -","- C25.388 H21.47 O23.96 Pr2 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0578","0.0342","","","0.0533","0.0564","","","","","","0.982","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504888","11.857","0.008","12.554","0.008","12.515","0.008","119.12","0.05","98.44","0.06","108.27","0.04","1441","2","200","","200","","","","","","","","","4","P -1","-P 1","2","","[La2(bta)2(H2O)3]-2.14(H2O)","","- C24 H28.28 La2 O17.14 -","- C24 H18 La2 O17.14 -","- C48 H36 La4 O34.28 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0336","0.0225","","","0.0478","0.0492","","","","","","0.921","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504889","11.812","0.007","12.444","0.008","12.522","0.009","118.949","0.019","108.3","0.02","98.387","0.018","1427.5","1.7","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Ce2(bta)2(H2O)3]-2(H2O)","","- C24 H28 Ce2 O17 -","- C24 H18 Ce2 O17 -","- C48 H36 Ce4 O34 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0963","0.0504","","","0.059","0.0662","","","","","","0.752","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504890","11.781","0.011","12.503","0.013","12.416","0.012","118.87","0.03","98.42","0.03","108.3","0.03","1420","3","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Pr2(bta)2(H2O)3]-2(H2O)","","- C24 H28 O17 Pr2 -","- C24 H24 O17 Pr2 -","- C48 H48 O34 Pr4 -","2","1","","Zhang, Zheng-Hua; Shen, Zhong-Liang; Okamura, Taka-aki; Zhu, Hui-Fang; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses and Structures of Two Series of Coordination Frameworks Based on the Assembly of 1,3,5-Benzenetriacetic Acid with Lanthanide Metal Salts","Crystal Growth & Design","2005","5","3","1191","","10.1021/cg049600q","","","0.71075","MoKα","","0.0345","0.0251","","","0.0481","0.0498","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504891","11.7982","0.0007","12.929","0.0008","12.9381","0.0008","90","","91.429","0.001","90","","1973","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Bi I3 N5 -","- C13 H13 Bi I3 N5 -","- C52 H52 Bi4 I12 N20 -","4","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0202","0.0191","","","0.0427","0.043","","","","","","1.09","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504892","13.6491","0.0009","13.3388","0.0009","11.2567","0.0007","90","","95.94","0.001","90","","2038.4","0.2","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag F3 N6 O3 S -","- C16 H16 Ag F3 N6 O3 S -","- C64 H64 Ag4 F12 N24 O12 S4 -","4","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.039","0.0356","","","0.0872","0.0894","","","","","","1.063","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504893","16.4622","0.001","10.5959","0.0006","20.3165","0.0012","90","","112.134","0.001","90","","3282.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 B Cl F4 N5 Pt -","- C13 H13 B Cl F4 N5 Pt -","- C104 H104 B8 Cl8 F32 N40 Pt8 -","8","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0237","0.0224","","","0.0547","0.0553","","","","","","1.156","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504894","19.144","0.0013","18.8439","0.0013","10.6967","0.0007","90","","90.257","0.001","90","","3858.8","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H35 B2 Cd F8 N12 O0.5 -","- C36 H34 B2 Cd F8 N12 O0.49 -","- C144 H136 B8 Cd4 F32 N48 O1.96 -","4","0.5","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0348","0.0339","","","0.0849","0.0855","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504895","13.0114","0.0007","17.3285","0.0009","18.8523","0.001","90","","102.816","0.001","90","","4144.7","0.4","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C85 H71 B4 Cd2 F16 N17 O5 -","- C85 H71 B4 Cd2 F16 N17 O5 -","- C170 H142 B8 Cd4 F32 N34 O10 -","2","1","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0347","0.0331","","","0.0742","0.075","","","","","","1.052","","","","has coordinates,has disorder","179583","2020-10-21","18:00:00",""
"4504896","12.137","0.007","7.742","0.005","18.618","0.009","90","","90","","90","","1749.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C56 H56 Cd8 N8 O48 -","8","1","","Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng","Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)","Crystal Growth & Design","2005","5","3","837","","10.1021/cg049610r","","","0.71073","MoKα","","0.0465","0.0391","","","0.0906","0.0939","","","","","","1.133","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504897","10.4291","0.0009","6.0983","0.0005","15.2762","0.0013","90","","106.992","0.002","90","","929.15","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cd2 N O6 -","- C7 H5 Cd2 N O6 -","- C28 H20 Cd8 N4 O24 -","4","1","","Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng","Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)","Crystal Growth & Design","2005","5","3","837","","10.1021/cg049610r","","","0.71073","MoKα","","0.0244","0.022","","","0.0498","0.0508","","","","","","1.089","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504898","10.523","0.006","11.065","0.008","8.061","0.004","90","","94.643","0.012","90","","935.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cd2 N O6 -","- C7 H5 Cd2 N O6 -","- C28 H20 Cd8 N4 O24 -","4","1","","Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng","Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)","Crystal Growth & Design","2005","5","3","837","","10.1021/cg049610r","","","0.71073","MoKα","","0.0245","0.0211","","","0.0612","0.0725","","","","","","1.261","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504899","9.6735","0.0003","19.5436","0.0005","7.0889","0.0002","90","","94.4613","0.0011","90","","1336.13","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu N8 -","- C12 H10 Cu N8 -","- C48 H40 Cu4 N32 -","4","1","","Gao, En-Qing; Yue, Yan-Feng; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","One-Dimensional Copper(II) Complexes Containing Only Single End-On Azido Bridges: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2005","5","3","1119","","10.1021/cg0496181","","","0.71073","MoKα","","0.1058","0.0385","","","0.0647","0.0782","","","","","","0.957","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504900","18.4371","0.0003","21.3954","0.0004","7.2088","0.0001","90","","90","","90","","2843.65","0.08","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H9 Cl Cu N8 -","- C12 H9 Cl Cu N8 -","- C96 H72 Cl8 Cu8 N64 -","8","1","","Gao, En-Qing; Yue, Yan-Feng; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","One-Dimensional Copper(II) Complexes Containing Only Single End-On Azido Bridges: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2005","5","3","1119","","10.1021/cg0496181","","","0.71073","MoKα","","0.081","0.0358","","","0.0732","0.0856","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504901","14.115","0.003","11.592","0.003","17.743","0.004","90","","92.529","0.004","90","","2900.3","1.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C31 H32 O11 S -","- C31 H32 O11 S -","- C124 H128 O44 S4 -","4","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0532","0.0484","","","0.123","0.1269","","","","","","1.024","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504902","31.182","0.004","11.2219","0.0013","22.715","0.003","90","","109.948","0.002","90","","7471.6","1.6","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H35 O11 S -","- C35.5 H35 O11 S -","- C284 H280 O88 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0908","0.067","","","0.1727","0.1853","","","","","","0.944","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504903","30.561","0.017","10.925","0.006","22.255","0.012","90","","114.922","0.01","90","","6739","6","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C32.38 H34.75 Cl2.75 O11 S -","- C32.375 H34.75 Cl2.75 O11 S -","- C259 H278 Cl22 O88 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.1248","0.0905","","","0.199","0.2186","","","","","","1.072","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504904","31.047","0.006","11.2665","0.0018","22.631","0.004","90","","109.88","0.004","90","","7444","2","133","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C35.5 H40 O11.25 S -","- C35.5 H40 O11.25 S -","- C284 H320 O90 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0818","0.071","","","0.1969","0.2095","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504905","30.623","0.009","11.129","0.004","22.529","0.007","90","","111.05","0.005","90","","7166","4","133","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C37.75 H39.25 N1.5 O11.38 S -","- C37.75 H39.25 N1.5 O11.375 S -","- C302 H314 N12 O91 S8 -","8","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.0532","0.05","","","0.1452","0.1489","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504906","15.937","0.004","11.054","0.003","22.206","0.006","90","","108.432","0.004","90","","3711.3","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULPHONYL 2,4(6)DIBENZOYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C36.5 H43 O13.75 S -","- C36.5 H43 O13.75 S -","- C146 H172 O55 S4 -","4","2","","Manoj, K.; Sureshan, Kana M.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Short SO···CO Contacts Associate Diastereomers of 2,4(6)-Di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-Orthoformate in Their Inclusion Complexes","Crystal Growth & Design","2005","5","3","833","","10.1021/cg049621k","","","0.71073","MoKα","","0.1149","0.0911","","","0.247","0.2697","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504907","18.932","0.002","5.6894","0.0007","10.4151","0.0013","90","","90","","90","","1121.8","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-aminopyridinium 4-aminobenzoate 1:1","2-aminopyridinium 4-aminobenzoate 1:1","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0287","0.0284","","","0.0718","0.0721","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504908","12.5619","0.0013","8.0768","0.0009","12.2356","0.0013","90","","109.831","0.002","90","","1167.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-aminopyridinium isophthalate 1:1","2-aminopyridinium isophthalate 1:1","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0362","0.0331","","","0.0931","0.0959","","","","","","0.966","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504909","5.1991","0.0008","14.606","0.002","11.1897","0.0017","90","","95.094","0.003","90","","846.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminopyridinium terephthalate 2:1","2-aminopyridinium terephthalate 2:1","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0545","0.0434","","","0.1037","0.1091","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504910","9.678","0.003","10.838","0.004","11.836","0.004","90","","111.21","0.006","90","","1157.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-5-picolinium benzoate 1:1","2-amino-5-picolinium benzoate 1:1","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0682","0.0553","","","0.1518","0.1625","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504911","8.542","0.0012","11.0504","0.0016","13.0956","0.0019","101.086","0.002","103.007","0.002","98.983","0.002","1155.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-amino-5-picolinium 5-t-butylisophthalate","2-amino-5-picolinium 5-t-butylisophthalate 2:1","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0689","0.0582","","","0.1592","0.1681","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504912","5.627","0.002","14.48","0.006","11.351","0.004","90","","99.622","0.007","90","","911.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-amino-5-picolinium terephthalate 2:1","2-amino-5-picolinium terephthalate 2:1","","- C10 H11 N2 O2 -","- C10 H11 N2 O2 -","- C40 H44 N8 O8 -","4","1","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.1014","0.0744","","","0.183","0.2023","","","","","","0.907","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504913","5.834","0.002","16.26","0.007","10.985","0.004","90","","92.141","0.007","90","","1041.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-amino-5-methylpyridinium 2,6-naphthalenedicarboxylate 2:1","2-amino-5-methylpyridinium 2,6-naphthalenedicarboxylate 2:1","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C48 H48 N8 O8 -","2","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.066","0.0536","","","0.1353","0.1424","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504914","5.07","0.0007","7.2081","0.001","18.388","0.003","88.468","0.002","85.015","0.002","72.373","0.002","638.02","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-amino-5-picolinium adipate adipic acid 2:1:1","2-amino-5-picolinium adipate adipic acid 2:1:1","","- C24 H36 N4 O8 -","- C24 H36 N4 O8 -","- C24 H36 N4 O8 -","1","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0485","0.0433","","","0.1208","0.1324","","","","","","1.121","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504915","14.7349","0.001","18.7523","0.0012","9.074","0.0006","90","","90","","90","","2507.3","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2-amino-5-picolinium 2,5-thiophenedicarboxylate 2,5-thiophenedicarboxylic acid","2-amino-5-picolinium 2,5-thiophenedicarboxylate 2,5-thiophenedicarboxylic acid","","- C24 H24 N4 O8 S2 -","- C24 H24 N4 O8 S2 -","- C96 H96 N16 O32 S8 -","4","0.5","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0372","0.0339","","","0.0887","0.0907","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504916","12.564","0.0016","11.3377","0.0014","30.501","0.004","90","","90","","90","","4344.8","1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2-amino-5-picolinium Indomethacine 1:1","2-amino-5-picolinium Indomethacine 1:1","","- C25 H24 Cl N3 O4 -","- C25 H24 Cl N3 O4 -","- C200 H192 Cl8 N24 O32 -","8","2","","Bis, Joanna A.; Zaworotko, Michael J.","The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals","Crystal Growth & Design","2005","5","3","1169","","10.1021/cg049622c","","","0.71073","MoKα","","0.0929","0.0718","","","0.1693","0.1837","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504917","5.9131","0.0004","10.4071","0.0009","13.4411","0.0007","90","","90","","90","","827.14","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cobalt citrate monohydrate","","","- C6 H8 Co O8 -","- C6 H8 Co O8 -","- C24 H32 Co4 O32 -","4","1","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0427","0.0383","","","0.071","0.0723","","","","","","0.997","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504918","11.204","0.0012","11.91","0.0012","12.0139","0.0013","90","","116.254","0.002","90","","1437.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tri-cobalt citrate","","","- C12 H38 Co3 O28 -","- C12 H38 Co3 O28 -","- C24 H76 Co6 O56 -","2","0.5","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0798","0.04","","","0.052","0.0568","","","","","","0.683","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504919","9.054","0.0007","6.6468","0.0005","20.277","0.0015","90","","96.871","0.001","90","","1211.51","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trinuclear cobalt citrate","","","- C12 H30 Co3 O24 -","- C12 H30 Co3 O24 -","- C24 H60 Co6 O48 -","2","0.5","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0894","0.0575","","","0.1188","0.134","","","","","","1.024","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504920","11.8034","0.0009","8.3749","0.0006","9.5543","0.0007","90","","96.213","0.001","90","","938.92","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ammonium cobalt citrate monohydrate","","","- C6 H11 Co N O8 -","- C6 H11 Co N O8 -","- C24 H44 Co4 N4 O32 -","4","1","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0772","0.0549","","","0.1217","0.1307","","","","","","1.044","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504921","7.5842","0.0008","7.771","0.0008","13.812","0.001","102.67","0.002","95.096","0.002","94.973","0.002","786.34","0.13","124.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N6 O6 S2 -","- C12.25 H17 N3 O5 S -","- C24.5 H34 N6 O10 S2 -","2","1","","Voogt, Jason N.; Blanch, Harvey W.","Temperature-Dependent Solvent Disruption of Guanidinium-1,5-Naphthalenedisulfonate Networks Yields a One-Dimensional Pore Structure","Crystal Growth & Design","2005","5","3","1135","","10.1021/cg049636i","","","0.7107","MoKα","","","0.0537","","","","0.0634","","","","","","2.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504922","7.8217","0.0008","19.228","0.002","7.438","0.0008","90","","90","","90","","1118.6","0.2","123.2","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C14 H26 N3 O8 S2 -","- C15.4 H18 N6 O8 S2 -","- C30.8 H36 N12 O16 S4 -","2","0.25","","Voogt, Jason N.; Blanch, Harvey W.","Temperature-Dependent Solvent Disruption of Guanidinium-1,5-Naphthalenedisulfonate Networks Yields a One-Dimensional Pore Structure","Crystal Growth & Design","2005","5","3","1135","","10.1021/cg049636i","","","0.7107","MoKα","","","0.0698","","","","0.1067","","","","","","4.495","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504923","8.4292","0.0006","9.4026","0.0007","8.276","0.0006","90","","93.156","0.001","90","","654.93","0.08","298","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 N2 O4 Zn -","- C5 H4 N2 O4 Zn -","- C20 H16 N8 O16 Zn4 -","4","1","","Lu, Jing; Zhao, Kui; Fang, Qian-Rong; Xu, Ji-Qing; Yu, Jie-Hui; Zhang, Xiao; Bie, Hai-Ying; Wang, Tie-Gang","Synthesis and Characterization of Four Novel Supramolecular Compounds Based on Metal Zinc and Cadmium","Crystal Growth & Design","2005","5","3","1091","","10.1021/cg049637a","","","0.71073","MoKα","","0.031","0.0285","","","0.0707","0.0722","","","","","","1.057","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504924","10.3405","0.0009","10.0948","0.0006","12.1549","0.0006","90","","109.317","0.004","90","","1197.36","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 Zn -","- C12 H8 N6 Zn -","- C48 H32 N24 Zn4 -","4","1","","Lu, Jing; Zhao, Kui; Fang, Qian-Rong; Xu, Ji-Qing; Yu, Jie-Hui; Zhang, Xiao; Bie, Hai-Ying; Wang, Tie-Gang","Synthesis and Characterization of Four Novel Supramolecular Compounds Based on Metal Zinc and Cadmium","Crystal Growth & Design","2005","5","3","1091","","10.1021/cg049637a","","","0.71073","MoKα","","0.0839","0.0395","","","0.0593","0.0687","","","","","","0.859","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504925","7.3915","0.0006","5.9789","0.0005","12.3309","0.0006","90","","92.885","0.002","90","","544.25","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 Cd2 O6 -","- C2 Cd2 O6 -","- C8 Cd8 O24 -","4","1","","Lu, Jing; Zhao, Kui; Fang, Qian-Rong; Xu, Ji-Qing; Yu, Jie-Hui; Zhang, Xiao; Bie, Hai-Ying; Wang, Tie-Gang","Synthesis and Characterization of Four Novel Supramolecular Compounds Based on Metal Zinc and Cadmium","Crystal Growth & Design","2005","5","3","1091","","10.1021/cg049637a","","","0.71073","MoKα","","0.0287","0.0262","","","0.0572","0.0585","","","","","","1.189","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504926","12.1631","0.0012","12.433","0.0012","14.9601","0.0014","83.957","0.002","89.001","0.002","83.13","0.002","2233.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H49 N6 O10 -","- C48 H49 N6 O10 -","- C96 H98 N12 O20 -","2","1","","Barnes, Charles L.; Bosch, Eric","The Quest for Chain-Link Hydrogen-Bonded Capsules: Self-Assembly of C-Methyl Calix[4]resorcinarene with 5,5‘-Bipyrimidine","Crystal Growth & Design","2005","5","3","1049","","10.1021/cg049639v","","","0.71073","MoKα","","0.0856","0.0624","","","0.1688","0.1886","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504927","15.5432","0.0011","15.8676","0.0011","15.917","0.0011","94.926","0.001","117.339","0.001","115.926","0.001","2927.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H65 N9 O8 -","- C63 H65 N9 O8 -","- C126 H130 N18 O16 -","2","1","","Barnes, Charles L.; Bosch, Eric","The Quest for Chain-Link Hydrogen-Bonded Capsules: Self-Assembly of C-Methyl Calix[4]resorcinarene with 5,5‘-Bipyrimidine","Crystal Growth & Design","2005","5","3","1049","","10.1021/cg049639v","","","0.71073","MoKα","","0.1632","0.0652","","","0.1562","0.1976","","","","","","1","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504928","10.2272","0.0008","10.543","0.0008","17.2047","0.0014","92.397","0.001","91.766","0.001","110.519","0.001","1733.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H43 N4 O9 -","- C40 H43 N4 O9 -","- C80 H86 N8 O18 -","2","1","","Barnes, Charles L.; Bosch, Eric","The Quest for Chain-Link Hydrogen-Bonded Capsules: Self-Assembly of C-Methyl Calix[4]resorcinarene with 5,5‘-Bipyrimidine","Crystal Growth & Design","2005","5","3","1049","","10.1021/cg049639v","","","0.71073","MoKα","","0.0778","0.0442","","","0.1021","0.1197","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504929","12.511","0.003","27.82","0.006","23.127","0.005","90","","92.6","0.03","90","","8041","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C420 H312 N24 O24 -","12","3","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.1305","0.0534","","","0.1134","0.1354","","","","","","0.969","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504930","14.424","0.003","10.901","0.002","14.962","0.003","90","","95.24","0.03","90","","2342.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N O2 -","- C31 H24 N O2 -","- C124 H96 N4 O8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.161","0.0536","","","0.1201","0.1369","","","","","","0.88","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504931","19.971","0.004","10.782","0.002","20.781","0.004","90","","90","","90","","4474.7","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H46 N2 O4 -","- C62 H46 N2 O4 -","- C248 H184 N8 O16 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.0518","0.034","","","0.0722","0.0753","","","","","","0.829","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504932","18.988","0.004","13.295","0.003","11.009","0.002","90","","105.97","0.03","90","","2671.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 N2 O4 -","- C35 H26 N2 O4 -","- C140 H104 N8 O16 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.0765","0.0442","","","0.1018","0.1112","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504933","6.2951","0.0013","7.6354","0.0015","25.366","0.005","82.75","0.03","87.55","0.03","66.96","0.03","1113","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.0919","0.0608","","","0.176","0.1992","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504934","16.041","0.002","16.041","0.002","17.659","0.004","90","","90","","90","","4543.9","1.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C30 H42 Cl2 Co N4 O13 S4 -","- C30 H36 Cl2 Co N4 O13 S4 -","- C120 H144 Cl8 Co4 N16 O52 S16 -","4","0.25","","Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He","Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands","Crystal Growth & Design","2005","5","5","1743","","10.1021/cg0496538","","","0.71073","MoKα","","0.1441","0.0976","","","0.2574","0.2848","","","","","","0.857","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504935","15.97","0.003","15.97","0.003","17.523","0.006","90","","90","","90","","4469.1","1.9","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C30 H42 Cl2 N4 O13 S4 Zn -","- C30 H36 Cl2 N4 O13 S4 Zn -","- C120 H144 Cl8 N16 O52 S16 Zn4 -","4","0.25","","Xie, Ya-Bo; Li, Jian-Rong; Zhang, Chong; Bu, Xian-He","Syntheses and Crystal Structures of Manganese(II), Cadmium(II), Cobalt(II), and Zinc(II) Complexes with 4-Pyridyl Dithioether Ligands","Crystal Growth & Design","2005","5","5","1743","","10.1021/cg0496538","","","0.71073","MoKα","","0.1876","0.0899","","","0.2283","0.2748","","","","","","0.844","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504936","4.4143","0.0001","14.7701","0.0005","15.9119","0.0006","90","","96.485","0.001","90","","1030.81","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N8 O8 -","- C18 H22 N8 O8 -","- C36 H44 N16 O16 -","2","0.5","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0587","0.0462","","","0.1162","0.1235","","","","","","1.126","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504937","30.3992","0.0012","31.2845","0.0016","4.6739","0.0002","90","","90","","90","","4445","0.3","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H24 N8 O8 -","- C19 H24 N8 O8 -","- C152 H192 N64 O64 -","8","0.5","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0702","0.0425","","","0.0855","0.0954","","","","","","1.079","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504938","6.8565","0.0002","12.5051","0.0004","15.8362","0.0005","90","","93.61","0.001","90","","1355.12","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N4 O6 -","- C12 H14 N4 O6 -","- C48 H56 N16 O24 -","4","1","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0763","0.0437","","","0.0962","0.11","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504939","13.0129","0.0005","6.6017","0.0002","17.1427","0.0008","90","","97.836","0.001","90","","1458.93","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C52 H72 N16 O24 -","4","1","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.1061","0.0645","","","0.187","0.2271","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504940","8.3212","0.0008","8.6667","0.0008","11.3636","0.0012","68.955","0.004","78.559","0.004","74.236","0.004","731.43","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C26 H36 N8 O12 -","2","1","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0815","0.0572","","","0.1569","0.1771","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504941","8.9231","0.0002","11.2023","0.0002","12.7643","0.0002","101.477","0.0011","97.0069","0.0009","98.7719","0.0009","1220.39","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cl2 Mn N12 O12 -","- C42 H50 Cl2 Mn N12 O12 -","- C42 H50 Cl2 Mn N12 O12 -","1","0.5","","Gao, En-Qing; Cheng, Ai-Ling; Xu, Yan-Xia; Yan, Chun-Hua; He, Ming-Yuan","New Inorganic−Organic Hybrid Supramolecular Architectures Generated from 2,5-Bis(3-pyridyl)-3,4-diaza-2,4-hexadiene","Crystal Growth & Design","2005","5","3","1005","","10.1021/cg049659x","","","0.71073","MoKα","","0.0693","0.0474","","","0.1241","0.1371","","","","","","1.027","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504942","6.2477","0.0001","8.4165","0.0002","15.0632","0.0004","90","","101.78","0.0011","90","","775.4","0.03","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Ag N5 O3 -","- C14 H14 Ag N5 O3 -","- C28 H28 Ag2 N10 O6 -","2","0.5","","Gao, En-Qing; Cheng, Ai-Ling; Xu, Yan-Xia; Yan, Chun-Hua; He, Ming-Yuan","New Inorganic−Organic Hybrid Supramolecular Architectures Generated from 2,5-Bis(3-pyridyl)-3,4-diaza-2,4-hexadiene","Crystal Growth & Design","2005","5","3","1005","","10.1021/cg049659x","","","0.71073","MoKα","","0.0327","0.0277","","","0.0685","0.0715","","","","","","1.097","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504943","12.1332","0.0015","16.798","0.002","46.658","0.006","90","","90","","90","","9510","2","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","1R (1PBA)(C6(CN)6)","","","- C26 H20 N10 -","- C26 H20 N10 -","- C416 H320 N160 -","16","1","","Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.","Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks","Crystal Growth & Design","2005","5","3","995","","10.1021/cg049660w","","","0.71073","MoKα","","0.0804","0.0747","","","0.1992","0.2068","","","","","","1.049","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504944","6.6656","0.0006","8.2082","0.0007","22.476","0.002","83.327","0.001","82.168","0.002","84.308","0.002","1205.65","0.18","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1G (PBA)(C6(CN)6)","","","- C26 H20 N10 -","- C26 H20 N10 -","- C52 H40 N20 -","2","1","","Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.","Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks","Crystal Growth & Design","2005","5","3","995","","10.1021/cg049660w","","","0.71073","MoKα","","0.0612","0.0512","","","0.1304","0.1367","","","","","","1.018","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504945","5.746","0.002","11.867","0.005","16.084","0.006","90","","90.473","0.005","90","","1096.7","0.7","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","2Y (EBA)(C6(CN)6)","","","- C22 H20 N10 -","- C22 H20 N10 -","- C44 H40 N20 -","2","0.5","","Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.","Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks","Crystal Growth & Design","2005","5","3","995","","10.1021/cg049660w","","","0.71073","MoKα","","0.1256","0.0741","","","0.177","0.1928","","","","","","1.18","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504946","12.278","0.002","6.6757","0.0011","8.6678","0.0014","90","","115.239","0.002","90","","642.63","0.18","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cyanuric acid dihydrate","","","- C3 H7 N3 O5 -","- C3 H7 N3 O5 -","- C12 H28 N12 O20 -","4","0.5","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","Investigating Unused Hydrogen Bond Acceptors Using Known and Hypothetical Crystal Polymorphism","Crystal Growth & Design","2005","5","3","983","","10.1021/cg049661o","","","0.71073","MoKα","","0.0307","0.03","","","0.088","0.0885","","","","","","1.11","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504947","6.297","0.004","7.674","0.004","10.557","0.006","74.94","0.008","87.597","0.009","67.677","0.008","454.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Cyanuric acid DMF solvate","","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C12 H20 N8 O8 -","2","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","Investigating Unused Hydrogen Bond Acceptors Using Known and Hypothetical Crystal Polymorphism","Crystal Growth & Design","2005","5","3","983","","10.1021/cg049661o","","","0.71073","MoKα","","0.0443","0.0421","","","0.1169","0.1191","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504948","9.5205","0.0016","13.338","0.002","7.4575","0.0012","90","","107.993","0.004","90","","900.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Mn N8 -","- C16 H14 Mn N8 -","- C32 H28 Mn2 N16 -","2","0.5","","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","","0.146","0.0486","","","0.0767","0.0933","","","","","","0.85","","","","has coordinates","179584","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",""
"4504950","32.066","0.0003","32.066","0.0003","32.066","0.0003","90","","90","","90","","32971.2","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","Cu_cube","","","- C480 H408 Cu6 N48 O192.08 -","- C480 H408 Cu6 N48 O192 -","- C960 H816 Cu12 N96 O384 -","2","0.0416667","","Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination","Crystal Growth & Design","2005","5","1","69","","10.1021/cg049683a","","","0.71073","MoKα","","0.1844","0.1472","","","0.394","0.4173","","","","","","1.394","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504951","32.2839","0.001","32.2839","0.001","32.2839","0.001","90","","90","","90","","33647.9","1.8","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","Ni_cube","","","- C456 H408 N48 Ni6 O12 -","- C456 H408 N48 Ni6 O12 -","- C912 H816 N96 Ni12 O24 -","2","0.0416667","","Natarajan, Ramalingam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Self-Assembly of a Unique Extended-Tetrahedral 3,3‘,5,5‘-Tetrakis(4-pyridyl)bimesityl Ligand into Discrete Supramolecular Cubes by Face-Directed Metal Coordination","Crystal Growth & Design","2005","5","1","69","","10.1021/cg049683a","","","0.71073","MoKα","","0.144","0.0622","","","0.1191","0.1301","","","","","","0.682","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504952","15.107","0.0009","15.107","0.0009","18.019","0.002","90","","90","","120","","3561.4","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-bromophenoxy)-1,3,5-triazine, hexafluorobenzene","2,4,6-tris(4-bromophenoxy)-1,3,5-triazine, hexafluorobenzene","","- C48 H24 Br6 F6 N6 O6 -","- C48 H24 Br6 F6 N6 O6 -","- C144 H72 Br18 F18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0269","0.0246","","","0.0621","0.0632","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504953","15.619","0.002","15.619","0.002","18.361","0.004","90","","90","","120","","3879.1","1.1","123","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, collidine","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, collidine","","- C50 H35 I6 N7 O6 -","- C49.98 H24 I6 N7.02 O6 -","- C149.94 H72 I18 N21.06 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0409","0.0377","","","0.0928","0.0945","","","","","","1.109","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4504954","15.6595","0.0013","15.6595","0.0013","18.681","0.002","90","","90","","120","","3967.2","0.6","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dibromomethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dibromomethane","","- C45 H30 Br3 I6 N6 O6 -","- C45 H24 Br3 I6 N6 O6 -","- C135 H72 Br9 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0843","0.0682","","","0.1871","0.2017","","","","","","1.056","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504955","15.7177","0.0005","15.7177","0.0005","18.9157","0.0009","90","","90","","120","","4047","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dichloromethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dichloromethane","","- C43 H26 Cl2 I6 N6 O6 -","- C43.02 H26.04 Cl1.98 I6 N6 O6 -","- C129.06 H78.12 Cl5.94 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0612","0.0527","","","0.1728","0.1803","","","","","","1.109","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504956","15.6962","0.001","15.6962","0.001","18.9478","0.0018","90","","90","","120","","4042.8","0.5","145","2","145","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, diiodomethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, diiodomethane","","- C22 H14 I5 N3 O3 -","- C21.99 H13.98 I4.98 N3 O3 -","- C131.94 H83.88 I29.88 N18 O18 -","6","0.333333","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0667","0.0623","","","0.1462","0.1505","","","","","","1.094","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504957","15.686","0.004","15.686","0.004","18.583","0.007","90","","90","","120","","3960","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexachlorobenzene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexachlorobenzene","","- C48 H24 Cl6 I6 N6 O6 -","- C48 H24 Cl6 I6 N6 O6 -","- C144 H72 Cl18 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0347","0.0307","","","0.0828","0.0847","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504958","15.668","0.003","15.668","0.003","18.475","0.005","90","","90","","120","","3927.7","1.5","183","2","183","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, mesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, mesitylene","","- C51 H36 I6 N6 O6 -","- C51 H24 I6 N6 O6 -","- C153 H72 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.059","0.0489","","","0.1167","0.1237","","","","","","1.057","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504959","15.583","0.0006","15.583","0.0006","18.3563","0.0014","90","","90","","120","","3860.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1-methylnapthalene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1-methylnapthalene","","- C53 H34 I6 N6 O6 -","- C53.02 H24 I6 N6 O6 -","- C159.06 H72 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0223","0.021","","","0.0546","0.0553","","","","","","1.149","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504960","15.7356","0.0008","15.7356","0.0008","18.3863","0.0013","90","","90","","120","","3942.7","0.4","145","2","145","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, tribromomesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, tribromomesitylene","","- C51 H33 Br3 I6 N6 O6 -","- C51 H33 Br3 I6 N6 O6 -","- C153 H99 Br9 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0501","0.0482","","","0.1144","0.116","","","","","","1.08","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4504961","15.9236","0.0009","15.9236","0.0009","18.425","0.002","90","","90","","120","","4046","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1,3,5-triiodomesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1,3,5-triiodomesitylene","","- C51 H33 I9 N6 O6 -","- C51 H24 I9 N6 O6 -","- C153 H72 I27 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0275","0.0239","","","0.0609","0.0629","","","","","","1.092","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504962","15.5466","0.0004","15.5466","0.0004","18.1511","0.0011","90","","90","","120","","3799.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexafluorobenzene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexafluorobenzene","","- C48 H24 F6 I6 N6 O6 -","- C48 H24 F6 I6 N6 O6 -","- C144 H72 F18 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.022","0.0212","","","0.0584","0.0589","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504963","11.917","0.004","26.67","0.009","15.241","0.005","90","","112.694","0.006","90","","4469","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cd Cl3 N8 O12 -","- C43 H28 Cd Cl3 N8 O12 -","- C172 H112 Cd4 Cl12 N32 O48 -","4","1","","Lü, Xing-Qiang; Jiang, Ji-Jun; Zhang, Li; Chen, Chun-Long; Su, Cheng-Yong; Kang, Bei-Sheng","Nonpenetrating Architectures of Cd(II) Complexes Constructed by Bispyridyl-Substituted Diphthalic Diimide Ligands of Varied Geometry","Crystal Growth & Design","2005","5","2","419","","10.1021/cg049693b","","","0.71073","MoKα","","0.0928","0.0556","","","0.1596","0.1882","","","","","","1.026","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504964","9.491","0.004","10.759","0.004","15.026","0.006","74.52","0.006","83.059","0.006","84.896","0.006","1465.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cd N10 O18 -","- C60 H42 Cd N10 O18 -","- C60 H42 Cd N10 O18 -","1","0.5","","Lü, Xing-Qiang; Jiang, Ji-Jun; Zhang, Li; Chen, Chun-Long; Su, Cheng-Yong; Kang, Bei-Sheng","Nonpenetrating Architectures of Cd(II) Complexes Constructed by Bispyridyl-Substituted Diphthalic Diimide Ligands of Varied Geometry","Crystal Growth & Design","2005","5","2","419","","10.1021/cg049693b","","","0.71073","MoKα","","0.0658","0.0507","","","0.1378","0.1515","","","","","","1.061","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504965","14.193","0.005","14.369","0.005","23.138","0.008","79.651","0.006","88.557","0.006","75.189","0.006","4487","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H88 Cd4 N4 S10 -","- C92 H85.5 Cd4 N4 S10 -","- C184 H171 Cd8 N8 S20 -","2","1","","Zhang, Xuanjun; Tian, Yupeng; Jin, Feng; Wu, Jieying; Xie, Yi; Tao, Xutang; Jiang, Minhua","Self-Assembly of an Organic Chromophore with Cd−S Nanoclusters: Supramolecular Structures and Enhanced Emissions","Crystal Growth & Design","2005","5","2","565","","10.1021/cg049695w","","","0.71073","MoKα","","0.2263","0.0534","","","0.0678","0.096","","","","","","0.653","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504966","14.839","0.004","15.428","0.004","18.335","0.005","98.09","0.005","97.543","0.005","106.76","0.005","3913.3","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H72 Cd4 I4 N4 O2 S6 -","- C68 H72 Cd4 I4 N4 O2 S6 -","- C136 H144 Cd8 I8 N8 O4 S12 -","2","1","","Zhang, Xuanjun; Tian, Yupeng; Jin, Feng; Wu, Jieying; Xie, Yi; Tao, Xutang; Jiang, Minhua","Self-Assembly of an Organic Chromophore with Cd−S Nanoclusters: Supramolecular Structures and Enhanced Emissions","Crystal Growth & Design","2005","5","2","565","","10.1021/cg049695w","","","0.71073","MoKα","","0.1864","0.05","","","0.0658","0.0808","","","","","","0.691","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504967","14.617","0.006","12.448","0.005","16.846","0.007","90","","95.14","0.04","90","","3053","2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N3 O6 -","- C30 H42 N3 O6 -","- C120 H168 N12 O24 -","4","1","","Cannon, Amy S.; Foxman, Bruce M.; Guarrera, Donna J.; Warner, John C.","Noncovalent Derivatives of Hydroquinone: Complexes with Trigonal Planar Tris(N,N-dialkyl)trimesamides","Crystal Growth & Design","2005","5","2","407","","10.1021/cg049702g","","","0.71073","MoKα","","0.0988","0.0618","","0.0749","0.0653","0.0653","","","","","","1.1158","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504968","10.142","0.006","14.859","0.009","17.662","0.011","90","","98.01","0.06","90","","2636","3","294","","294","","","","1","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N3 O7 -","- C27 H33 N3 O7 -","- C108 H132 N12 O28 -","4","1","","Cannon, Amy S.; Foxman, Bruce M.; Guarrera, Donna J.; Warner, John C.","Noncovalent Derivatives of Hydroquinone: Complexes with Trigonal Planar Tris(N,N-dialkyl)trimesamides","Crystal Growth & Design","2005","5","2","407","","10.1021/cg049702g","","","0.71073","MoKα","","0.0493","0.0493","","0.048","0.048","0.048","","","","","","1.1824","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504969","4.9669","0.0009","11.459","0.004","5.4231","0.0012","90","","114.916","0.015","90","","279.93","0.13","293","","293","","","","2","","","","","4","P 1 21/n 1","-P 2yn","14","","Alpha glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.6843","synchrotron","","0.0875","0.0771","","0.1906","0.1845","0.1906","","","","","","1.1837","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504970","4.869","0.0007","11.139","0.003","5.3777","0.001","90","","116.888","0.011","90","","260.13","0.1","293","","293","","","","62","","","","","4","P 1 21/n 1","-P 2yn","14","","alpha glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.6843","synchrotron","","0.0852","0.0685","","0.1897","0.1779","0.1897","","","","","","1.0905","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504971","6.9332","0.0006","6.9332","0.0006","5.4552","0.0008","90","","90","","120","","227.1","0.04","293","","293","","","","1","","","","","4","P 31","P 31","144","","Gamma glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.71073","MoKα","","0.1053","0.0866","","0.1935","0.1723","0.1935","","","","","","1.174","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504972","6.8617","0.0004","6.8617","0.0004","5.4282","0.0006","90","","90","","120","","221.33","0.03","293","","293","","","","0","","","","","4","P 31","P 31","144","","Gamma Glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.71073","MoKα","","0.0993","0.0895","","0.182","0.1733","0.182","","","","","","1.151","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504973","11.156","0.004","5.8644","0.0011","5.3417","0.0017","90","","125.83","0.04","90","","283.3","0.2","293","","293","","","","2","","","","","4","P 1 21/a 1","-P 2yab","14","","delta glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","","","0.71073","MoKα","","0.0976","0.0759","","0.1969","0.1802","0.1969","","","","","","1.0458","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504974","4.8887","0.001","5.7541","0.0011","5.4419","0.0011","90","","116.682","0.01","90","","136.78","0.05","","","293","","","","4.3","","","","","4","P 1 n 1","P -2yac","7","","Epsilon glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine","Crystal Growth & Design","2005","5","4","1415","","10.1021/cg049716m","powder diffraction","","0.4654","","","","","","","","","","","0.514","","","","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504975","6.947","0.002","6.246","0.002","10.76","0.003","90","","104.23","0.02","90","","452.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4,4'-dimethylazoxyfurazan","3-methyl-4-[(E)-(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole","","- C6 H6 N6 O3 -","- C6 H6 N6 O3 -","- C12 H12 N12 O6 -","2","0.5","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0748","0.0442","","","0.1261","0.1328","","","","","","0.984","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504976","6.977","0.0014","6.154","0.0012","10.515","0.002","90","","108.49","0.03","90","","428.17","0.16","160","2","160","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4,4'-Dichloroazoxyfurazan","3-chloro-4-[(E)-(4-chloro-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole","","- C4 Cl2 N6 O3 -","- C4 Cl2 N6 O3 -","- C8 Cl4 N12 O6 -","2","0.5","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0561","0.0416","","","0.1204","0.1237","","","","","","1.029","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504977","6.7202","0.0014","8.4002","0.0017","13.938","0.003","94.599","0.017","101.385","0.016","94.682","0.016","765","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4,4'-di(morpholin-1-yl)azoxyfurazan","4-{4-[(E)-(4-morpholin-4-yl-1,2,5-oxadiazol-3-yl)diazenyl]- 1,2,5-oxadiazol-3-yl}morpholine","","- C12 H16 N8 O5 -","- C12 H16 N8 O5 -","- C24 H32 N16 O10 -","2","1","","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Computer Simulation of Crystal Structure for Three Furazan Derivatives","Crystal Growth & Design","2005","5","2","631","","10.1021/cg049717e","","","0.71073","MoKα","","0.0763","0.0428","","","0.098","0.1052","","","","","","0.929","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504978","7.4894","0.0015","16.237","0.003","8.2217","0.0016","90","","92.9","0.03","90","","998.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C7 H6 Ag2 O7 S -","- C7 H3 Ag2 O7 S -","- C28 H12 Ag8 O28 S4 -","4","1","","Ma, Jian-Fang; Yang, Jin; Li,; Song, Shu-Yan; Zhang, Hong-Jie; Wang, Hai-Shui; Yang, Kui-Yue","Two Coordination Polymers of Ag(I) with 5-Sulfosalicylic Acid","Crystal Growth & Design","2005","5","2","807","","10.1021/cg049723a","","","0.71073","MoKα","","0.0455","0.0372","","","0.1228","0.1252","","","","","","1.119","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504979","8.3069","0.0017","11.246","0.002","12.59","0.003","112.68","0.03","97.66","0.03","95.51","0.03","1061.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Ag2 O16 S2 -","- C14 H18 Ag2 O16 S2 -","- C28 H36 Ag4 O32 S4 -","2","1","","Ma, Jian-Fang; Yang, Jin; Li,; Song, Shu-Yan; Zhang, Hong-Jie; Wang, Hai-Shui; Yang, Kui-Yue","Two Coordination Polymers of Ag(I) with 5-Sulfosalicylic Acid","Crystal Growth & Design","2005","5","2","807","","10.1021/cg049723a","","","0.71073","MoKα","","0.0339","0.0257","","","0.0745","0.0855","","","","","","1.13","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504980","7.4589","0.0015","8.1654","0.0016","13.538","0.003","90","","90","","90","","824.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 N O7 P2 -","- C2 H11 N O7 P2 -","- C8 H44 N4 O28 P8 -","4","1","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid–Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.0317","0.0317","","","0.0847","0.0848","","","","","","1.141","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504981","9.447","0.006","18.891","0.011","13.612","0.008","90","","90.388","0.009","90","","2429","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H42 N4 O13 P2 -","- C14 H42 N4 O13 P2 -","- C56 H168 N16 O52 P8 -","4","1","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid–Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.033","0.0309","","","0.0816","0.0832","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504982","10.8497","0.0008","12.8209","0.001","17.2248","0.0014","105.195","0.001","90.871","0.001","98.22","0.001","2285","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 N4 O12 P4 -","- C14 H26 N4 O12 P4 -","- C56 H104 N16 O48 P16 -","4","2","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid–Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.0482","0.0338","","","0.0968","0.1066","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504983","29.267","0.005","5.4416","0.001","18.067","0.003","90","","120.093","0.003","90","","2489.5","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H32 N4 O12 P4 -","- C17 H31 N4 O12 P4 -","- C68 H124 N16 O48 P16 -","4","0.5","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid‒Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.0686","0.042","","","0.0951","0.1076","","","","","","1.021","","","","has coordinates","210354","2020-10-21","18:00:00",""
"4504984","8.307","0.001","8.769","0.001","9.204","0.001","95.63","0.01","115.61","0.01","110.26","0.01","542.31","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 La2 O20 -","- C6 H6 La O10 -","- C12 H12 La2 O20 -","2","1","","Michaelides, Adonis; Skoulika, Stavroula","Reactive Microporous Rare-Earth Coordination Polymers that Exhibit Single-Crystal-to-Single-Crystal Dehydration and Rehydration","Crystal Growth & Design","2005","5","2","529","","10.1021/cg049725v","","","0.71073","MoKα","","0.0212","0.0203","","","0.0532","0.0537","","","","","","1.131","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504985","8.304","0.001","8.728","0.001","9.177","0.001","95.59","0.01","115.7","0.01","110.26","0.01","537.59","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 Ce2 O20 -","- C6 H6 Ce O10 -","- C12 H12 Ce2 O20 -","2","1","","Michaelides, Adonis; Skoulika, Stavroula","Reactive Microporous Rare-Earth Coordination Polymers that Exhibit Single-Crystal-to-Single-Crystal Dehydration and Rehydration","Crystal Growth & Design","2005","5","2","529","","10.1021/cg049725v","","","0.71073","MoKα","","0.0279","0.0254","","","0.0636","0.066","","","","","","0.924","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504986","8.279","0.002","8.731","0.003","9.098","0.003","94.83","0.04","115.54","0.01","111.93","0.02","526.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Ce2 O18 -","- C6 H2 Ce O9 -","- C12 H4 Ce2 O18 -","2","1","","Michaelides, Adonis; Skoulika, Stavroula","Reactive Microporous Rare-Earth Coordination Polymers that Exhibit Single-Crystal-to-Single-Crystal Dehydration and Rehydration","Crystal Growth & Design","2005","5","2","529","","10.1021/cg049725v","","","0.71073","MoKα","","0.0454","0.0432","","","0.1096","0.1111","","","","","","1.08","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504987","11.0741","0.0011","11.6272","0.0013","15.2196","0.0013","90","","90","","90","","1959.7","0.3","293","2","295","2","","","","","","","","4","P n n n :2","-P 2ab 2bc","48","","","","- C24 H18 I10 N6 -","- C24 H18 I10 N6 -","- C48 H36 I20 N12 -","2","0.25","","Padgett, Clifford W.; Walsh, Rosa D.; Drake, Gregory W.; Hanks, Timothy W.; Pennington, William T.","New Conformations and Binding Modes in Halogen-Bonded and Ionic Complexes of 2,3,5,6-Tetra(2‘-pyridyl)pyrazine","Crystal Growth & Design","2005","5","2","745","","10.1021/cg049730z","","","0.71073","MoKα","","0.0361","0.0243","","","0.0451","0.0465","","","","","","0.985","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504988","11.895","0.002","11.682","0.002","12.957","0.002","90","","94.23","0.01","90","","1795.6","0.5","293","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I8 N6 -","- C24 H20 I8 N6 -","- C48 H40 I16 N12 -","2","0.5","","Padgett, Clifford W.; Walsh, Rosa D.; Drake, Gregory W.; Hanks, Timothy W.; Pennington, William T.","New Conformations and Binding Modes in Halogen-Bonded and Ionic Complexes of 2,3,5,6-Tetra(2‘-pyridyl)pyrazine","Crystal Growth & Design","2005","5","2","745","","10.1021/cg049730z","","","0.71073","MoKα","","0.0368","0.0233","","","0.0397","0.0406","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504989","11.607","0.004","13.987","0.006","17.854","0.005","90","","92.41","0.02","90","","2896","1.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 I4 N6 -","- C26 H16 I4 N6 -","- C104 H64 I16 N24 -","4","0.5","","Padgett, Clifford W.; Walsh, Rosa D.; Drake, Gregory W.; Hanks, Timothy W.; Pennington, William T.","New Conformations and Binding Modes in Halogen-Bonded and Ionic Complexes of 2,3,5,6-Tetra(2‘-pyridyl)pyrazine","Crystal Growth & Design","2005","5","2","745","","10.1021/cg049730z","","","0.71073","MoKα","","0.0301","0.0261","","","0.0609","0.0618","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504990","11.552","0.002","12.742","0.003","14.589","0.003","94.22","0.03","109.01","0.03","115.57","0.03","1772.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 La4 Mo8 N4 O64 -","- C28 H56 La4 Mo8 N4 O64 -","- C28 H56 La4 Mo8 N4 O64 -","1","0.5","","Lü, Jian; Shen, Enhong; Li, Yangguang; Xiao, Dongrong; Wang, Enbo; Xu, Lin","A Novel Pillar-Layered Organic−Inorganic Hybrid Based on Lanthanide Polymer and Polyomolybdate Clusters: New Opportunity toward the Design and Synthesis of Porous Framework","Crystal Growth & Design","2005","5","1","65","","10.1021/cg049732j","","","0.71073","MoKα","","0.0355","0.0285","","","0.08","0.0832","","","","","","1.066","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504991","9.2332","0.0012","6.1926","0.0008","23.143","0.003","90","","90.548","0.002","90","","1323.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminobenzoic acid 4-nitrobenzoic acid","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.0708","0.0636","","","0.1542","0.1589","","","","","","1.182","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504992","15.8195","0.0009","4.3087","0.0004","16.466","0.0008","90","","107.173","0.005","90","","1072.31","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Aminobenzoic acid 2,2'-bipyridine","4-Aminobenzoic acid 2,2'-bipyridine","","- C12 H11 N2 O2 -","- C12 H11 N2 O2 -","- C48 H44 N8 O8 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1417","0.0573","","","0.1138","0.1442","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504993","8.2212","0.0011","16.0895","0.0014","17.7649","0.0016","90","","101.629","0.01","90","","2301.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminobenzoic acid 2,2'-bipyridine-n-oxide","","- C24 H22 N4 O5 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1307","0.0634","","","0.1687","0.2065","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504994","29.21","0.003","3.8089","0.0005","23.2503","0.0015","90","","118.029","0.004","90","","2283.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Aminobenzoic acid 2,2'-bipyridine","4-Aminobenzoic acid 2,2'-bipyridine","","- C12 H9 N2 O4 -","- C12 H9 N2 O4 -","- C96 H72 N16 O32 -","8","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1145","0.0547","","","0.1125","0.1374","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504995","7.8386","0.0004","6.8499","0.0004","20.7925","0.001","90","","92.559","0.004","90","","1115.31","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Nitrobenzoic acid 4,4'-bipyridine","","- C12 H9 N2 O4 -","- C12 H9 N2 O4 -","- C48 H36 N8 O16 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1139","0.0554","","","0.1236","0.1519","","","","","","1.011","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504996","13.105","0.003","7.1812","0.0017","23.756","0.006","90","","92.742","0.004","90","","2233.1","0.9","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-nitrobenzoic acid 2,2'-bipyridine-N,N'-dioxide","","- C24 H18 N4 O10 -","- C24 H18 N4 O10 -","- C96 H72 N16 O40 -","4","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.0837","0.0528","","","0.1089","0.122","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504997","9.2934","0.0006","11.6146","0.0006","12.2041","0.001","65.308","0.006","74.856","0.005","75.299","0.004","1139.47","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Nitrobenzoic acid 4,4'-bipyridine-N,N'-dioxide","","- C24 H18 N4 O10 -","- C24 H18 N4 O10 -","- C48 H36 N8 O20 -","2","1","","Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.","Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies","Crystal Growth & Design","2005","5","2","727","","10.1021/cg0497391","","","0.71073","MoKα","","0.1117","0.0527","","","0.1191","0.1438","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4504998","29.95","0.006","9.809","0.002","19.848","0.004","90","","93.59","0.03","90","","5819","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 N2 O2 -","- C37 H22 N2 O2 -","- C296 H176 N16 O16 -","8","1","","Biradha, Kumar; Mahata, Goutam","Enclathration of Aromatic Molecules by the O−H···N Supramolecular Adducts of Racemic-bis-β-naphthol and 4,4‘-Bipyridine","Crystal Growth & Design","2005","5","1","61","","10.1021/cg049761u","","","0.71073","MoKα","","0.1411","0.0636","","","0.1617","0.2257","","","","","","1.037","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504999","16.218","0.003","9.536","0.0019","17.675","0.004","90","","93.33","0.03","90","","2728.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N2 O2 -","- C36 H27 N2 O2 -","- C144 H108 N8 O8 -","4","1","","Biradha, Kumar; Mahata, Goutam","Enclathration of Aromatic Molecules by the O−H···N Supramolecular Adducts of Racemic-bis-β-naphthol and 4,4‘-Bipyridine","Crystal Growth & Design","2005","5","1","61","","10.1021/cg049761u","","","0.71073","MoKα","","0.1267","0.0575","","","0.1283","0.1862","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505000","9.894","0.002","18.022","0.004","18.045","0.004","90","","101.07","0.03","90","","3157.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N4 O2 -","- C40 H30 N4 O2 -","- C160 H120 N16 O8 -","4","1","","Biradha, Kumar; Mahata, Goutam","Enclathration of Aromatic Molecules by the O−H···N Supramolecular Adducts of Racemic-bis-β-naphthol and 4,4‘-Bipyridine","Crystal Growth & Design","2005","5","1","61","","10.1021/cg049761u","","","0.71073","MoKα","","0.1995","0.0764","","","0.1503","0.2292","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:15",""
"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","301842","2025-08-21","00:37:15",""
"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","301842","2025-08-21","00:37:15",""
"4505003","14.6255","0.0015","14.6255","0.0015","18.848","0.003","90","","90","","120","","3491.5","0.8","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H15 Cl6 N6 Sb -","- C18 H15 Cl6 N6 Sb -","- C108 H90 Cl36 N36 Sb6 -","6","0.333333","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0322","0.0254","","","0.0489","0.0506","","","","","","0.991","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505004","14.5986","0.0011","14.5986","0.0011","19.062","0.002","90","","90","","120","","3518.2","0.5","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Bi Cl6 N6 -","- C18 H15 Bi Cl6 N6 -","- C108 H90 Bi6 Cl36 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0223","0.0163","","","0.0381","0.0397","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505005","13.8577","0.0019","15.899","0.002","25.332","0.003","90","","95.302","0.002","90","","5557.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl18 Fe4 N12 -","- C36 H30 Cl18 Fe4 N12 -","- C144 H120 Cl72 Fe16 N48 -","4","1","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0907","0.0391","","","0.0716","0.0828","","","","","","0.905","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505006","7.5722","0.001","14.332","0.0019","14.787","0.0019","63.068","0.002","86.965","0.002","87.724","0.002","1428.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 Cl6 Fe N6 O6 -","- C18 H27 Cl6 Fe N6 O6 -","- C36 H54 Cl12 Fe2 N12 O12 -","2","1","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0412","0.029","","","0.0706","0.075","","","","","","1.006","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505007","14.6781","0.0006","14.6781","0.0006","19.0874","0.001","90","","90","","120","","3561.4","0.3","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Cl6 N6 Sb -","- C18 H15 Cl6 N6 Sb -","- C108 H90 Cl36 N36 Sb6 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0203","0.017","","","0.0453","0.0466","","","","","","1.259","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505008","14.7004","0.0012","14.7004","0.0012","19.228","0.002","90","","90","","120","","3598.5","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Bi Cl6 N6 -","- C18 H15 Bi Cl6 N6 -","- C108 H90 Bi6 Cl36 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0246","0.0183","","","0.0429","0.0451","","","","","","1.069","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505009","14.6022","0.0009","14.6022","0.0009","18.5768","0.0016","90","","90","","120","","3430.3","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H15 Cl6 Fe N6 -","- C18 H15 Cl6 Fe N6 -","- C108 H90 Cl36 Fe6 N36 -","6","0.166667","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0386","0.037","","","0.1388","0.1391","","","","","","2.667","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505010","9.5743","0.0009","15.4364","0.0016","17.857","0.0017","90","","96.185","0.002","90","","2623.8","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl6 N6 O3 Sb -","- C18 H15 Cl6 N6 O3 Sb -","- C72 H60 Cl24 N24 O12 Sb4 -","4","1","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0707","0.0404","","","0.0743","0.08","","","","","","0.878","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505011","15.1595","0.0002","15.1595","0.0002","19.2129","0.0003","90","","90","","120","","3823.78","0.09","153","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Bi2 Cl12 N12 O6 -","- C36 H30 Bi2 Cl12 N12 O6 -","- C108 H90 Bi6 Cl36 N36 O18 -","3","0.0833333","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","1.5418","CuKα","","0.0349","0.0261","","","0.0608","0.0637","","","","","","0.944","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505012","6.6316","0.0013","28.981","0.006","12.145","0.002","90","","98.24","0.03","90","","2310.1","0.8","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H15 Cl6 Fe N6 -","- C18 H15 Cl6 Fe N6 -","- C72 H60 Cl24 Fe4 N24 -","4","2","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0592","0.0468","","","0.0879","0.0927","","","","","","1.013","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505013","13.8503","0.0016","12.4517","0.0014","14.106","0.0017","90","","119.247","0.002","90","","2122.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 Cu2 N10 O16 -","- C32 H52 Cl2 Cu2 N10 O16 -","- C64 H104 Cl4 Cu4 N20 O32 -","2","0.5","","Liu, Zhi-Liang; Li,; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","Oxamido-Bridged Bimetallic Complexes Involving Nitronyl Nitroxide Radical Ligands: Crystal Structure and Magnetic Behavior","Crystal Growth & Design","2005","5","2","783","","10.1021/cg0497851","","","0.71073","MoKα","","0.0472","0.0335","","","0.0826","0.0901","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505014","7.6994","0.0001","12.4931","0.0003","22.1419","0.0004","90","","95.821","0.001","90","","2118.83","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl2 Cu2 N10 O14 -","- C32 H44 Cl2 Cu2 N10 O14 -","- C64 H88 Cl4 Cu4 N20 O28 -","2","0.5","","Liu, Zhi-Liang; Li,; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","Oxamido-Bridged Bimetallic Complexes Involving Nitronyl Nitroxide Radical Ligands: Crystal Structure and Magnetic Behavior","Crystal Growth & Design","2005","5","2","783","","10.1021/cg0497851","","","0.71073","MoKα","","0.0861","0.0568","","","0.1465","0.172","","","","","","1.164","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505015","23.6774","0.0004","23.6774","0.0004","9.617","0.0002","90","","90","","90","","5391.48","0.17","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C47 H58 Cl2 Cu2 N6 O18 -","- C47 H44 Cl2 Cu2 N6 O17.38 -","- C188 H176 Cl8 Cu8 N24 O69.52 -","4","0.5","","Madalan, Augustin M.; Kravtsov, Victor Ch.; Simonov, Yurii A.; Voronkova, Violeta; Korobchenko, Ludmila; Avarvari, Narcis; Andruh, Marius","A Unique Diamondoid Network Resulting from the Convolution of π−π Stacking and Lipophilic Interactions","Crystal Growth & Design","2005","5","1","45","","10.1021/cg049793h","","","0.71073","MoKα","","0.0891","0.0652","","","0.161","0.1732","","","","","","1.053","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505016","5.123","0.002","6.374","0.001","10.931","0.002","97.9","0.01","99.08","0.02","110.49","0.02","322.93","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocyclopentanecarboxylic acid","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C12 H22 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0692","0.066","","","0.1726","0.1759","","","","","","1.423","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505017","5.16","0.001","6.383","0.001","12.281","0.001","95.11","0.01","100.51","0.01","108.97","0.01","371.29","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocyclohexanecarboxylic acid","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C14 H26 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","0.71073","MOkα","","0.107","0.0486","","","0.1325","0.1519","","","","","","0.856","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505018","5.134","0.001","6.317","0.001","13.468","0.001","101.5","0.01","96.17","0.01","106.25","0.02","404.68","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocycloheptanecarboxylic acid","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C16 H30 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0666","0.0581","","","0.1543","0.1595","","","","","","1.262","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505019","5.397","0.001","6.338","0.001","13.743","0.001","94.49","0.01","98.66","0.01","105.94","0.02","443.31","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-2-aminocyclooctanecarboxylic acid","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C18 H34 N2 O4 -","2","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0472","0.0374","","","0.1228","0.1289","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505020","11.757","0.001","5.159","0.001","12.075","0.001","90","","110.27","0.01","90","","687.04","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-2-aminocyclohex-4-enecarboxylic acid","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C28 H44 N4 O8 -","4","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.5418","CUkα","","0.0403","0.0357","","","0.1424","0.1472","","","","","","1.305","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505021","11.597","0.002","5.64","0.001","13.011","0.001","90","","111.07","0.01","90","","794.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-2-aminocyclohexanecarboxylic acid","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.038","0.0354","","","0.1459","0.1486","","","","","","1.369","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505022","10.961","0.001","5.448","0.001","12.994","0.001","90","","110.97","0.01","90","","724.55","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-2-aminocyclohex-4-enecarboxylic acid","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C28 H44 N4 O8 -","4","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.54184","CUkα","","0.0472","0.0382","","","0.121","0.1298","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505023","23.387","0.001","6.654","0.001","10.007","0.001","90","","90","","90","","1557.3","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylic acid","","- C8 H13 N O2 -","- C8 H13 N O2 -","- C64 H104 N8 O16 -","8","1","","Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs.","Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers","Crystal Growth & Design","2005","5","2","773","","10.1021/cg0497997","","","1.5418","CUkα","","0.0612","0.0526","","","0.1399","0.1488","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505024","7.7535","0.0003","13.8362","0.0005","14.0188","0.0005","107.763","0.001","98.73","0.001","97.02","0.001","1392.76","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2,3,6,7,10,11-Hexakis(methylthio)triphenylene bismuth trichloride","","","- C48 H48 Bi2 Cl6 S12 -","- C48 H48 Bi2 Cl6 S12 -","- C48 H48 Bi2 Cl6 S12 -","1","0.5","","Xu, Zhengtao; Li, Kunhao; Fettinger, James C.; Li, Jing; King, Michael M.","A Semiconductive Coordination Network Based on 2,3,6,7,10,11-Hexakis(methylthio)triphenylene and BiCl3","Crystal Growth & Design","2005","5","2","423","","10.1021/cg049817k","","","0.71073","mokα","","0.0229","0.0197","","","0.046","0.0476","","","","","","1.064","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4505025","7.5608","0.0004","13.0954","0.0007","13.7926","0.0007","115.964","0.001","96.603","0.001","100.919","0.001","1174.88","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","2,3,6,7,10,11-Hexakis(methylthio)triphenylene","","","- C24 H24 S6 -","- C24 H24 S6 -","- C48 H48 S12 -","2","1","","Xu, Zhengtao; Li, Kunhao; Fettinger, James C.; Li, Jing; King, Michael M.","A Semiconductive Coordination Network Based on 2,3,6,7,10,11-Hexakis(methylthio)triphenylene and BiCl3","Crystal Growth & Design","2005","5","2","423","","10.1021/cg049817k","","","0.71073","MoKα","","0.0546","0.0452","","","0.1202","0.1265","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505026","18.3445","0.0011","9.5239","0.0006","17.1652","0.0011","90","","94.466","0.001","90","","2989.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N2 O -","- C39 H30 N2 O -","- C156 H120 N8 O4 -","4","1","","Wong, Ken-Tsung; Liao, Yuan-Li; Peng, Ying-Chu; Wang, Chih-Chieh; Lin, Sue-Yi; Yang, Cheng-Han; Tseng, Shih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming","A Novel Right-Angled Ligand that Forms Polymeric Metal−Organic Frameworks with Nanometer-Sized Square Cavities","Crystal Growth & Design","2005","5","2","667","","10.1021/cg049822o","","","0.71073","MoKα","","0.1704","0.0974","","","0.3001","0.3272","","","","","","1.231","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505027","25.7092","0.0012","14.4164","0.0006","15.6865","0.0007","90","","109.22","0.002","90","","5489.9","0.4","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H49 Ag B F4 N4 O -","- C71 H49 Ag B F4 N4 O -","- C284 H196 Ag4 B4 F16 N16 O4 -","4","0.5","","Wong, Ken-Tsung; Liao, Yuan-Li; Peng, Ying-Chu; Wang, Chih-Chieh; Lin, Sue-Yi; Yang, Cheng-Han; Tseng, Shih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming","A Novel Right-Angled Ligand that Forms Polymeric Metal−Organic Frameworks with Nanometer-Sized Square Cavities","Crystal Growth & Design","2005","5","2","667","","10.1021/cg049822o","","","0.71073","MoKα","","0.1236","0.0677","","","0.1774","0.2136","","","","","","1.022","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505028","8.2068","0.0008","12.7017","0.0014","13.3725","0.0014","94.106","0.002","99.216","0.002","94.645","0.002","1366.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N8 O6 -","- C10 H10 N8 O6 -","- C40 H40 N32 O24 -","4","2","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.1014","0.067","","","0.1624","0.1891","","","","","","1.005","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505029","6.7992","0.0008","20.156","0.002","7.0861","0.0008","90","","93.366","0.002","90","","969.44","0.19","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N6 O3 -","- C7 H11 N6 O3 -","- C28 H44 N24 O12 -","4","1","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.053","0.0446","","","0.1389","0.1587","","","","","","0.638","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505030","6.928","0.002","11.272","0.004","11.678","0.004","110.157","0.006","103.151","0.006","94.128","0.006","822.3","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 N6 O9 -","- C12 H18 N6 O9 -","- C24 H36 N12 O18 -","2","1","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.0885","0.0596","","","0.1581","0.1823","","","","","","0.909","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505031","13.139","0.003","8.164","0.002","14.947","0.003","90","","93.8","0.03","90","","1599.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N6 O7 -","- C13 H16 N6 O7 -","- C52 H64 N24 O28 -","4","1","","Zhang, Xiu-Lian; Chen, Xiao-Ming","Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids","Crystal Growth & Design","2005","5","2","617","","10.1021/cg0498251","","","0.71073","MoKα","","0.0555","0.0527","","","0.1573","0.1614","","","","","","0.976","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505032","9.423","0.0019","17.386","0.004","19.934","0.004","90","","90","","90","","3265.8","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Ag2 N10 O8 -","- C27 H32 Ag2 N10 O8 -","- C108 H128 Ag8 N40 O32 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0609","0.0423","","","0.0912","0.0964","","","","","","0.938","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505033","11.693","0.002","10.006","0.002","17.434","0.004","90","","102.59","0.03","90","","1990.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Ag2 Cl4 N10 O12 -","- C28 H36 Ag2 Cl4 N10 O12 -","- C56 H72 Ag4 Cl8 N20 O24 -","2","0.5","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0459","0.0382","","","0.112","0.1188","","","","","","0.97","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505034","14.354","0.003","14.127","0.003","8.0576","0.0016","90","","101.91","0.03","90","","1598.7","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H18 Ag N5 O3 -","- C14 H18 Ag N5 O3 -","- C56 H72 Ag4 N20 O12 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0405","0.0358","","","0.0826","0.1016","","","","","","1.059","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505035","14.142","0.004","14.381","0.004","8.033","0.003","90","","101.35","0.02","90","","1601.8","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H18 Ag N5 O3 -","- C14 H18 Ag N5 O3 -","- C56 H72 Ag4 N20 O12 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0361","0.0318","","","0.0827","0.0874","","","","","","1.106","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505036","8.92","0.001","16.524","0.002","9.857","0.001","90","","93.836","0.01","90","","1449.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Remacemide","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.1188","0.0409","","","0.0953","0.1152","","","","","","0.995","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505037","10.66","0.002","8.712","0.002","17.624","0.003","90","","90.77","0.018","90","","1636.6","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","remacemide hydrochloride salt","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide hydrochloride","","- C17 H21 Cl N2 O -","- C17 H21 Cl N2 O -","- C68 H84 Cl4 N8 O4 -","4","2","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.0594","0.0344","","","0.084","0.0915","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505038","11.724","0.004","8.932","0.004","15.872","0.004","90","","95.93","0.02","90","","1653.2","1","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","remacemide nitrate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide nitrate","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C68 H84 N12 O16 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.71069","MoKα","","0.1036","0.054","","","0.1386","0.1538","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505039","15.4018","0.0003","6.7683","0.0001","17.3531","0.0003","90","","93.13","0.01","90","","1806.26","0.06","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","remacemide acetate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide acetate","","- C18 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","powder diffraction","","0.850747","","","","","","","","","","","2.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505040","9.7297","0.0004","14.4323","0.0003","19.4269","0.0004","104.859","0.002","90.49","0.002","95.546","0.002","2622.82","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","remacemide napsilate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide naphthalene-2-sulphonate","","- C27.77 H31.35 N2 O4.9 S -","- C27.791 H31.373 N2 O4.8955 S -","- C111.164 H125.492 N8 O19.582 S4 -","4","2","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.6892","synchrotron","","0.0731","0.0543","","","0.1475","0.1562","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505041","11.9187","0.001","31.801","0.003","7.9304","0.0007","90","","128.382","0.002","90","","2356.2","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","remacemide xinafoate","2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide 1-hydroxynaphthalene-2-carboxylate","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.","Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures","Crystal Growth & Design","2005","5","2","427","","10.1021/cg049836u","","","0.6892","synchrotron","","0.0619","0.0494","","","0.1206","0.1234","","","","","","1.162","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505042","11.419","0.003","10.29","0.002","15.695","0.005","90","","96.052","0.005","90","","1833.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H13 Co N3 O4.5 -","- C17.5 H11 Co N3 O4.5 -","- C70 H44 Co4 N12 O18 -","4","1","","Ghosh, Sujit K.; Ribas, Joan; Bharadwaj, Parimal K.","Characterization of 3-D Metal−Organic Frameworks Formed through Hydrogen Bonding Interactions of 2-D Networks with Rectangular Voids by CoII- and NiII-Pyridine-2,6-dicarboxylate and 4,4‘-Bipyridine or 1,2-Di(pyridyl)ethylene","Crystal Growth & Design","2005","5","2","623","","10.1021/cg049838e","","","0.71069","MoKα","","0.079","0.046","","","0.1253","0.1397","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505043","11.249","0.005","10.277","0.002","15.607","0.005","90","","97.916","0.005","90","","1787.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H13 N3 Ni O4.5 -","- C17.5 H11 N3 Ni O4.5 -","- C70 H44 N12 Ni4 O18 -","4","1","","Ghosh, Sujit K.; Ribas, Joan; Bharadwaj, Parimal K.","Characterization of 3-D Metal−Organic Frameworks Formed through Hydrogen Bonding Interactions of 2-D Networks with Rectangular Voids by CoII- and NiII-Pyridine-2,6-dicarboxylate and 4,4‘-Bipyridine or 1,2-Di(pyridyl)ethylene","Crystal Growth & Design","2005","5","2","623","","10.1021/cg049838e","","","0.71069","MoKα","","0.1322","0.0584","","","0.1548","0.1916","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505044","8.915","0.002","19.844","0.006","15.799","0.005","90","","96.083","0.005","90","","2779.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 Ni O13 -","- C26 H28 N4 Ni O13 -","- C104 H112 N16 Ni4 O52 -","4","1","","Ghosh, Sujit K.; Ribas, Joan; Bharadwaj, Parimal K.","Characterization of 3-D Metal−Organic Frameworks Formed through Hydrogen Bonding Interactions of 2-D Networks with Rectangular Voids by CoII- and NiII-Pyridine-2,6-dicarboxylate and 4,4‘-Bipyridine or 1,2-Di(pyridyl)ethylene","Crystal Growth & Design","2005","5","2","623","","10.1021/cg049838e","","","0.71069","MoKα","","0.0599","0.0391","","","0.0999","0.1169","","","","","","1.1","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505045","7.348","0.002","11.388","0.002","24.295","0.005","90","","90","","90","","2033","0.8","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cu2 N2 O8 -","- C18 H22 Cu2 N2 O8 -","- C72 H88 Cu8 N8 O32 -","4","1","","Yang, Xiandong; Wu, Daqing; Ranford, John D.; Vittal, Jagadese J.","Influence of the CO···π Interaction on the Thermal Dehydration Behavior of [Cu2(sgly)2(H2O)]·1H2O†","Crystal Growth & Design","2005","5","1","41","","10.1021/cg0498406","","","0.71073","MoKα","","0.068","0.0382","","","0.0673","0.0771","","","","","","0.927","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505046","9.6337","0.0012","15.2001","0.0019","19.6","0.002","90","","97.71","0.002","90","","2844.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 B2 N4 O16 -","- C54 H88 B2 N4 O16 -","- C108 H176 B4 N8 O32 -","2","0.5","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.0682","0.0607","","","0.12","0.1235","","","","","","1.237","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505047","8.64","0.0014","21.251","0.003","9.6811","0.0016","90","","112.105","0.003","90","","1646.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B N O9 -","- C14 H14 B N O9 -","- C56 H56 B4 N4 O36 -","4","1","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.1161","0.0666","","","0.1206","0.1396","","","","","","1.081","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505048","8.4979","0.0012","9.8102","0.0013","11.5937","0.0016","68.788","0.002","69.65","0.002","83.611","0.002","844.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 B N O10 -","- C14 H16 B N O10 -","- C28 H32 B2 N2 O20 -","2","1","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.0884","0.0704","","","0.1433","0.1511","","","","","","1.21","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505049","10.5585","0.0011","17.4475","0.0019","16.253","0.0017","90","","91.315","0.002","90","","2993.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 B N O4 -","- C29 H48 B N O4 -","- C116 H192 B4 N4 O16 -","4","1","","Rodríguez-Cuamatzi, Patricia; Arillo-Flores, Oscar I.; Bernal-Uruchurtu, Margarita I.; Höpfl, Herbert","Theoretical and Experimental Evaluation of Homo- and Heterodimeric Hydrogen-Bonded Motifs Containing Boronic Acids, Carboxylic Acids, and Carboxylate Anions: Application for the Generation of Highly Stable Hydrogen-Bonded Supramolecular Systems","Crystal Growth & Design","2005","5","1","167","","10.1021/cg0498453","","","0.71073","MoKα","","0.1487","0.0913","","","0.168","0.1888","","","","","","1.255","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505050","8.4176","0.0005","10.3212","0.0006","11.3471","0.0006","73.459","0.002","68.572","0.002","72.099","0.002","856.56","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N2 O6 -","- C16 H20 Co N2 O6 -","- C32 H40 Co2 N4 O12 -","2","1","","Ang, Siau Gek; Sun, Bai Wang","Crystal Structure and Characterization of Organic−Inorganic Hybridized Molecules with Molecular Zipper Structures and Two-Dimensional Grid Networks","Crystal Growth & Design","2005","5","1","383","","10.1021/cg049847n","","","0.71073","MoKα","","0.0482","0.0417","","","0.104","0.1074","","","","","","1.066","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505051","5.4016","0.0011","7.3711","0.0016","9.823","0.002","86.412","0.004","84.113","0.004","72.99","0.004","371.81","0.13","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","1","0.5","","Ang, Siau Gek; Sun, Bai Wang","Crystal Structure and Characterization of Organic−Inorganic Hybridized Molecules with Molecular Zipper Structures and Two-Dimensional Grid Networks","Crystal Growth & Design","2005","5","1","383","","10.1021/cg049847n","","","0.71073","MoKα","","0.0264","0.0259","","","0.0668","0.0671","","","","","","1.084","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4505052","5.4059","0.0003","7.2938","0.0003","9.9853","0.0004","86.549","0.002","84.745","0.002","73.427","0.002","375.53","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mn N2 O8 -","- C14 H16 Mn N2 O8 -","- C14 H16 Mn N2 O8 -","1","0.5","","Ang, Siau Gek; Sun, Bai Wang","Crystal Structure and Characterization of Organic−Inorganic Hybridized Molecules with Molecular Zipper Structures and Two-Dimensional Grid Networks","Crystal Growth & Design","2005","5","1","383","","10.1021/cg049847n","","","0.71073","MoKα","","0.0305","0.0299","","","0.0835","0.0841","","","","","","1.107","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505053","6.7947","0.0002","11.6963","0.0002","19.9102","0.0003","90","","90","","90","","1582.32","0.06","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 B2 Ge3 N2 O11 -","- C6 H18 B2 Ge3 N2 O11 -","- C24 H72 B8 Ge12 N8 O44 -","4","0.5","","Wang, Guo-Ming; Sun, Yan-Qiong; Yang, Guo-Yu","Syntheses and Structures of Two New Organically Templated Borogermanates","Crystal Growth & Design","2005","5","1","313","","10.1021/cg049872t","","","0.71073","MoKα","","0.0397","0.0374","","","0.0836","0.0847","","","","","","1.167","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505054","6.8736","0.0002","11.7423","0.0003","27.6476","0.0002","90","","90","","90","","2231.49","0.09","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H31 B2 Ge3 N4 O12.5 -","- C10 H20 B2 Ge3 N4 O12.5 -","- C40 H80 B8 Ge12 N16 O50 -","4","0.5","","Wang, Guo-Ming; Sun, Yan-Qiong; Yang, Guo-Yu","Syntheses and Structures of Two New Organically Templated Borogermanates","Crystal Growth & Design","2005","5","1","313","","10.1021/cg049872t","","","0.71073","MoKα","","0.038","0.0357","","","0.0856","0.0871","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505055","9.006","0.002","9.006","0.002","5.6627","0.0018","90","","90","","90","","459.3","0.2","293","2","293","2","","","","","","","","7","P -4","P -4","81","","","","- C12 H16 Ag B F4 N4 O2 -","- C12 H16 Ag B F4 N4 O2 -","- C12 H16 Ag B F4 N4 O2 -","1","0.25","","Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand","Crystal Growth & Design","2005","5","1","73","","10.1021/cg0498756","","","0.71073","MoKα","","","0.0506","","","0.1412","0.1498","","","","","","1.082","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505056","9.1699","0.001","9.1699","0.001","11.0088","0.0017","90","","90","","90","","925.7","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C12 H16 Ag Cl N4 O6 -","- C12 H16 Ag Cl N4 O6 -","- C24 H32 Ag2 Cl2 N8 O12 -","2","0.25","","Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand","Crystal Growth & Design","2005","5","1","73","","10.1021/cg0498756","","","0.71073","MoKα","","","0.0371","","","0.101","0.1059","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505057","9.289","0.0013","9.289","0.0013","25.028","0.005","90","","90","","90","","2159.6","0.6","193","2","193","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","3,3,3',3'-tetra(2-hydroxyethyl)-1,1'-isophthaloylbis(thiourea)","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C72 H104 N16 O24 S8 -","4","0.5","","Bourne, Susan A.; Hallale, Oren; Koch, Klaus R.","Hydrogen-Bonding Networks in a Bipodal Acyl-thiourea and Its NiII2:2 Metallamacrocyclic Complex","Crystal Growth & Design","2005","5","1","307","","10.1021/cg049877q","","","0.71073","MoKα","","0.0287","0.0266","","","0.0736","0.0753","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505058","9.4807","0.0019","12.993","0.003","18.474","0.004","97.3","0.03","100.3","0.03","100.52","0.03","2171.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","cis-[Ni(L-S,O)(pyridine)2]2. pyridine/water solvate","","- C81 H86 N17 Ni2 O14 S4 -","- C81 H86 N17 Ni2 O14 S4 -","- C81 H86 N17 Ni2 O14 S4 -","1","0.5","","Bourne, Susan A.; Hallale, Oren; Koch, Klaus R.","Hydrogen-Bonding Networks in a Bipodal Acyl-thiourea and Its NiII2:2 Metallamacrocyclic Complex","Crystal Growth & Design","2005","5","1","307","","10.1021/cg049877q","","","0.71073","MoKα","","0.089","0.0508","","","0.1185","0.1345","","","","","","1.036","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505059","18.077","0.006","6.857","0.002","13.266","0.004","90","","95.271","0.004","90","","1637.4","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B5 H2 K2 O9.5 -","- B5 H2 K2 O9.5 -","- B40 H16 K16 O76 -","8","1","","Zhang, Hong-Xia; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Two New Potassium Borates, K4B10O15(OH)4with Stepped Chain and KB5O7(OH)2·H2O with Double Helical Chain","Crystal Growth & Design","2005","5","1","157","","10.1021/cg049888j","","","0.71073","MoKα","","0.0246","0.0234","","","0.0633","0.0641","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505060","9.4824","0.0008","7.518","0.0006","11.4154","0.0006","90","","97.277","0.003","90","","807.23","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 H4 K O10 -","- B5 H4 K O10 -","- B20 H16 K4 O40 -","4","1","","Zhang, Hong-Xia; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Two New Potassium Borates, K4B10O15(OH)4with Stepped Chain and KB5O7(OH)2·H2O with Double Helical Chain","Crystal Growth & Design","2005","5","1","157","","10.1021/cg049888j","","","0.71073","MoKα","","0.0677","0.0502","","","0.1271","0.1402","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505061","10.781","0.002","10.885","0.002","12.781","0.003","96.91","0.03","110.33","0.03","103.73","0.03","1332","0.6","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H27 Cu3 Mo11 N6 O39 P -","- C30 H26 Cu3 Mo11 N6 O39 P -","- C30 H26 Cu3 Mo11 N6 O39 P -","1","1","","Lu, Ying; Xu, Yan; Wang, Enbo; Lü, Jian; Hu, Changwen; Xu, Lin","Novel Two-Dimensional Network Constructed from Polyoxomolybdate Chains Linked through Copper−Organonitrogen Coordination Polymer Chains: Hydrothermal Synthesis and Structure of [H2bpy][Cu(4,4‘-bpy)]2[HPCuMo11O39]","Crystal Growth & Design","2005","5","1","257","","10.1021/cg0498960","","","0.71073","MoKα","","0.0643","0.058","","","0.1606","0.1714","","","","","","1.077","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505062","17.1433","0.0006","33.3982","0.0011","18.4415","0.0006","90","","111.875","0.001","90","","9798.5","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Cu2 K La N2 O16 -","- C12 H12 Cl2 Cu2 K La N2 O16 -","- C192 H192 Cl32 Cu32 K16 La16 N32 O256 -","16","4","","Kou, Hui-Zhong; Jiang, Yun-Bo; Cui, Ai-Li","Two-Dimensional Coordination Polymers Exhibiting Antiferromagnetic Gd(III)−Cu(II) Coupling","Crystal Growth & Design","2005","5","1","77","","10.1021/cg049897s","","","0.71073","MoKα","","0.0739","0.0511","","","0.111","0.1211","","","","","","1.027","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505063","17.107","0.006","33.19","0.011","18.151","0.006","90","","111.534","0.005","90","","9586","6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Cu2 Gd K N2 O16 -","- C12 H12 Cl2 Cu2 Gd K N2 O16.25 -","- C192 H192 Cl32 Cu32 Gd16 K16 N32 O260 -","16","4","","Kou, Hui-Zhong; Jiang, Yun-Bo; Cui, Ai-Li","Two-Dimensional Coordination Polymers Exhibiting Antiferromagnetic Gd(III)−Cu(II) Coupling","Crystal Growth & Design","2005","5","1","77","","10.1021/cg049897s","","","0.71073","MoKα","","0.1073","0.056","","","0.1059","0.1233","","","","","","1","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505064","16.9052","0.0006","32.537","0.001","18.1468","0.0006","90","","112.544","0.001","90","","9218.8","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Cu2 Gd N2 Na O16 -","- C12 H12 Cl2 Cu2 Gd N2 Na O16 -","- C192 H192 Cl32 Cu32 Gd16 N32 Na16 O256 -","16","4","","Kou, Hui-Zhong; Jiang, Yun-Bo; Cui, Ai-Li","Two-Dimensional Coordination Polymers Exhibiting Antiferromagnetic Gd(III)−Cu(II) Coupling","Crystal Growth & Design","2005","5","1","77","","10.1021/cg049897s","","","0.71073","MoKα","","0.1248","0.0871","","","0.1833","0.202","","","","","","1.066","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505065","13.9822","0.0005","13.9822","0.0005","53.094","0.004","90","","90","","120","","8989.3","0.8","298","2","298","2","","","","","","","","2","R -3 :H","-R 3","148","1,1,1,6,6,6-hexaphenyl-2,4-hexadiyne","","","- C42 H30 -","- C42 H30 -","- C504 H360 -","12","0.666667","","Karlen, Steven D.; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Removal of Conflicting Molecular Symmetries Restores a Hexagonal Array of Six-Fold Phenyl Embraces in a bis(Trityl)-Containing Compound. I. Crystals of 1,1,1,6,6,6-Hexaphenyl-2,4-hexadiyne","Crystal Growth & Design","2005","5","1","53","","10.1021/cg049898k","","","0.71073","MoKα","","0.1123","0.0477","","","0.116","0.1415","","","","","","1","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505066","11.3366","0.001","15.3829","0.001","11.1085","0.001","90","","91.398","0.01","90","","1936.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H K O8 Zn0.5 -","- C5 H K O8 Zn0.5 -","- C40 H8 K8 O64 Zn4 -","8","1","","Lu, Kuang-Lieh; Chen, Yen-Fu; Liu, Yen-Hsiang; Cheng, Yi-Wei; Liao, Rong-Tang; Wen, Yuh-Sheng","Bottom-Up Crystal Engineering toward Nanoporosity Exemplified by a Zinc Carboxylate Coordination Polymer Adopting a Tenorite Analogue Network Topology","Crystal Growth & Design","2005","5","2","403","","10.1021/cg049908h","","x-ray","0.71073","MoKα","","0.0577","0.0391","","","0.1052","0.1156","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505067","9.753","0.002","10.353","0.002","17.208","0.003","90","","99.79","0.03","90","","1712.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O5 S -","- C16 H17 N3 O5 S -","- C64 H68 N12 O20 S4 -","4","1","","Biradha, Kumar; Mahata, Goutam","A 3D-Honeycomb Network with Unique Encapsulation of Dimers of 1D-Chains","Crystal Growth & Design","2005","5","1","49","","10.1021/cg0499257","","","0.71073","MoKα","","0.1397","0.064","","","0.148","0.2033","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505068","9.521","0.0019","19.944","0.004","26.149","0.005","90","","90","","90","","4965.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C192 H192 N16 O48 S16 -","8","1","","Biradha, Kumar; Mahata, Goutam","A 3D-Honeycomb Network with Unique Encapsulation of Dimers of 1D-Chains","Crystal Growth & Design","2005","5","1","49","","10.1021/cg0499257","","","0.71073","MoKα","","0.1326","0.0687","","","0.1715","0.2195","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505069","11.7633","0.0019","9.5108","0.0015","16.581","0.003","90","","92.208","0.004","90","","1853.7","0.5","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Ba Cr2 N4 O22 -","- C28 H16 Ba Cr2 N4 O22 -","- C56 H32 Ba2 Cr4 N8 O44 -","2","0.5","","Marinescu, Gabriela; Andruh, Marius; Julve, Miguel; Lloret, Francesc; Llusar, Rosa; Uriel, Santiago; Vaissermann, Jacqueline","Heteropolymetallic Supramolecular Solid-State Architectures Constructed from [Cr(AA)(C2O4)2]-Tectons, and Sustained by Coordinative, Hydrogen Bond and π−π Stacking Interactions (AA = 2,2‘-Bipyridine; 1,10-Phenanthroline)","Crystal Growth & Design","2005","5","1","261","","10.1021/cg049944g","","","0.71073","MoKα","","0.0585","0.0344","","","0.0874","0.094","","","","","","0.955","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505070","7.7608","0.0012","21.176","0.004","21.462","0.004","90","","99.52","0.004","90","","3478.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Ba Cr2 N4 O18 -","- C32 H18 Ba Cr2 N4 O18 -","- C128 H72 Ba4 Cr8 N16 O72 -","4","1","","Marinescu, Gabriela; Andruh, Marius; Julve, Miguel; Lloret, Francesc; Llusar, Rosa; Uriel, Santiago; Vaissermann, Jacqueline","Heteropolymetallic Supramolecular Solid-State Architectures Constructed from [Cr(AA)(C2O4)2]-Tectons, and Sustained by Coordinative, Hydrogen Bond and π−π Stacking Interactions (AA = 2,2‘-Bipyridine; 1,10-Phenanthroline)","Crystal Growth & Design","2005","5","1","261","","10.1021/cg049944g","","","0.71073","MoKα","","0.0842","0.0424","","","0.0881","0.1002","","","","","","0.968","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505071","11.401","0.004","9.943","0.003","19.681","0.006","90","","103.5","0.01","90","","2169.4","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-(4-hydroxybenzyl)phenol).(4-(4-aminobenzyl)aniline)","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.0581","0.0437","","","0.1095","0.1204","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505072","11.2547","0.0011","10.1129","0.0009","19.9982","0.0017","90","","103.654","0.005","90","","2211.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(4-aminobenzyl)aniline).(4-(4-hydroxyphenylsulfanyl)phenol)","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.1215","0.0571","","","0.1162","0.1397","","","","","","0.987","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505073","5.2528","0.0001","42.3571","0.0006","9.4214","0.0001","90","","94.801","0.001","90","","2088.84","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(4-hydroxybenzyl)phenol).(4-(4-aminophenylsulfanyl)aniline)","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.0455","0.0368","","","0.0923","0.0974","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505074","9.909","0.0004","10.27","0.0004","22.01","0.0008","90","","90","","90","","2239.86","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-(4-aminophenylsulfanyl)aniline).(4-(4-hydroxyphenylsulfanyl)phenol)","","- C24 H22 N2 O2 S2 -","- C24 H22 N2 O2 S2 -","- C96 H88 N8 O8 S8 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.0428","0.0369","","","0.0936","0.0965","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505075","14.268","0.0005","12.7763","0.0006","11.8165","0.0001","90","","101.347","0.002","90","","2111.95","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cu N3 O5 -","- C24 H16 Cu N3 O5 -","- C96 H64 Cu4 N12 O20 -","4","0.5","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.0496","","","0.1266","0.1401","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505076","3.7498","0.0001","11.5531","0.0005","11.6843","0.0005","89.189","0.005","80.976","0.005","86.25","0.006","498.85","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl Cu N O -","- C12 H8 Cl Cu N O -","- C24 H16 Cl2 Cu2 N2 O2 -","2","1","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.023","","","0.0584","0.0604","","","","","","1.018","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505077","8.3035","0.0002","11.382","","14.0112","0.0001","69.943","0.005","86.895","0.006","74.063","0.005","1194.91","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Cu2 N4 O12 -","- C56 H44 Cu2 N4 O12 -","- C56 H44 Cu2 N4 O12 -","1","0.5","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.0339","","","0.0865","0.0898","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505078","9.5749","0.0004","10.4852","0.0003","10.83","0.0005","113.688","0.002","94.916","0.002","110.594","0.002","898.77","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu3 N2 O14 -","- C36 H34 Cu3 N2 O14 -","- C36 H34 Cu3 N2 O14 -","1","0.5","","Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo","Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions","Crystal Growth & Design","2005","5","4","1485","","10.1021/cg050003t","","","0.71073","MoKα","","","0.0808","","","0.1699","0.1949","","","","","","1.115","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505079","9.427","0.002","12.546","0.003","22.514","0.005","99.53","0.03","100.79","0.03","99.37","0.03","2527.4","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 Mn Mo6 O31 S40 -","- C60 H58 Mn Mo6 O31 S40 -","- C60 H58 Mn Mo6 O31 S40 -","1","0.5","","Liu, Cai-Ming; Huang, Yong-Hong; Zhang, De-Qing; Gao, Song; Jiang, Feng-Chi; Zhang, Jian-Ying; Zhu, Dao-Ben","Bis(ethylenedithio)tetrathiafulvalene Radical Salts with Anderson Type Heteropolymolybdates Containing Tris(alkoxo) Ligands","Crystal Growth & Design","2005","5","4","1531","","10.1021/cg050004l","","","0.71073","MoKα","","0.1375","0.0487","","","0.1067","0.1488","","","","","","0.675","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505080","9.358","0.002","12.783","0.003","22.492","0.004","99.36","0.03","100.82","0.03","101.07","0.03","2537.9","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H50 Mn Mo6 N2 O24 S40 -","- C66 H50 Mn Mo6 N2 O24 S40 -","- C66 H50 Mn Mo6 N2 O24 S40 -","1","0.5","","Liu, Cai-Ming; Huang, Yong-Hong; Zhang, De-Qing; Gao, Song; Jiang, Feng-Chi; Zhang, Jian-Ying; Zhu, Dao-Ben","Bis(ethylenedithio)tetrathiafulvalene Radical Salts with Anderson Type Heteropolymolybdates Containing Tris(alkoxo) Ligands","Crystal Growth & Design","2005","5","4","1531","","10.1021/cg050004l","","","0.71073","MoKα","","0.19","0.0657","","","0.1463","0.1985","","","","","","0.727","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505081","9.0712","0.0018","15.977","0.003","21.698","0.004","70.01","0.03","84.35","0.03","88.29","0.03","2940.9","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H64 Cl4 Mn Mo6 N2 O24 S48 -","- C70 H64 Cl4 Mn Mo6 N2 O24 S48 -","- C70 H64 Cl4 Mn Mo6 N2 O24 S48 -","1","0.5","","Liu, Cai-Ming; Huang, Yong-Hong; Zhang, De-Qing; Gao, Song; Jiang, Feng-Chi; Zhang, Jian-Ying; Zhu, Dao-Ben","Bis(ethylenedithio)tetrathiafulvalene Radical Salts with Anderson Type Heteropolymolybdates Containing Tris(alkoxo) Ligands","Crystal Growth & Design","2005","5","4","1531","","10.1021/cg050004l","","","0.71073","MoKα","","0.2251","0.0977","","","0.1562","0.2056","","","","","","0.975","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505082","8.4833","0.0014","12.478","0.002","8.5116","0.0014","90","","110.844","0.003","90","","842","0.2","383","2","383","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C24 H32 N4 O24 P4 -","4","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.055","0.0496","","","0.1272","0.1351","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505083","19.9519","0.0018","7.2218","0.0006","25.516","0.002","90","","90","","90","","3676.6","0.5","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H25 N Ni1.5 O16 P -","- C6 H25 N Ni1.5 O16 P -","- C48 H200 N8 Ni12 O128 P8 -","8","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.0665","0.0611","","","0.1499","0.1591","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505084","8.1235","0.0005","14.9124","0.001","15.5084","0.001","90","","100.571","0.001","90","","1846.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cu N2 O13 P2 -","- C12 H16 Cu N2 O13 P2 -","- C48 H64 Cu4 N8 O52 P8 -","4","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.0451","0.0414","","","0.1057","0.1096","","","","","","1.122","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505085","7.292","0.004","8.255","0.004","10.055","0.005","97.329","0.008","90.552","0.008","100.293","0.009","590.3","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Co N O9 P -","- C6 H12 Co N O9 P -","- C12 H24 Co2 N2 O18 P2 -","2","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.0829","0.0541","","","0.1189","0.1467","","","","","","1.112","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505086","10.5915","0.0016","10.2446","0.0016","7.5003","0.0011","90","","130.732","0.01","90","","616.69","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K Lu O8 W2 -","- K Lu O8 W2 -","- K4 Lu4 O32 W8 -","4","0.5","","Wang, Kunpeng; Zhang, Jianxiu; Wang, Jiyang; Yu, Wentao; Zhang, Huaijin; Wang, Zhengping; Wang, Xuping; Ba, Mingfang","Predicted and Real Habits of Flux Grown Potassium Lutetium Tungstate Single Crystals","Crystal Growth & Design","2005","5","4","1555","","10.1021/cg050019j","","","0.71073","MoKα","","0.0684","0.067","","","0.1622","0.1644","","","","","","1.053","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505087","5.4329","0.0014","17.829","0.005","11.82","0.003","90","","94.361","0.005","90","","1141.6","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Hydrazinium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H16 N2 O6 -","- C9 H16 N2 O6 -","- C36 H64 N8 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.059","0.0414","","","0.0828","0.0896","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505088","9.2006","0.0014","4.9116","0.0008","21.385","0.003","90","","96.835","0.005","90","","959.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H11 Na O6 -","- C9 H11 Na O6 -","- C36 H44 Na4 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0826","0.0421","","","0.0846","0.0946","","","","","","0.936","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505089","7.6682","0.0009","8.4743","0.001","9.5164","0.0012","91.741","0.002","94.436","0.002","97.239","0.002","611.13","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C22 H38 N2 O12 -","2","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0444","0.0408","","","0.0987","0.1008","","","","","","1.095","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505090","5.8655","0.0012","17.805","0.004","11.408","0.002","90","","93.7","0.03","90","","1188.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methylammonium cyclohexane-1-carboxylate-3cis,5-cis-dicarboxylic acid","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.1551","0.0626","","","0.1087","0.1439","","","","","","1.009","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505091","5.0737","0.0014","18.203","0.005","11.742","0.003","90","","93.275","0.004","90","","1082.7","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Hydroxylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C36 H60 N4 O28 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0326","0.0313","","","0.0708","0.0717","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505092","4.7608","0.0011","19.703","0.005","11.502","0.003","90","","90.551","0.004","90","","1078.9","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ammonium cyclohexane-1-carboxylate-3cis,5cis-dicarboxylic acid","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C36 H60 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini","Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate","Crystal Growth & Design","2005","5","3","1271","","10.1021/cg0500270","","","0.71073","MoKα","","0.0314","0.0309","","","0.0824","0.0828","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505093","10.3098","0.0019","15.608","0.003","14.243","0.003","90","","101.618","0.003","90","","2245","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 O9 P3 -","- C21 H21 N3 O9 P3 -","- C84 H84 N12 O36 P12 -","4","1","","Kong, Deyuan; Clearfield, Abraham; Zoń, Jerzy","Crystal-Engineered Three-Dimensional Hydrogen-Bonding Networks Built with 1,3,5-Benzenetri(phosphonic acid) and Bipyridine Synthons","Crystal Growth & Design","2005","5","5","1767","","10.1021/cg050033w","","","0.71073","MoKα","","0.0422","0.0416","","","0.0999","0.1002","","","","","","1.236","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505094","7.2494","0.0018","12.317","0.003","12.528","0.003","84.392","0.004","77.085","0.004","85.179","0.004","1082.9","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 N2 O12 P3 -","- C16 H23 N2 O12 P3 -","- C32 H46 N4 O24 P6 -","2","1","","Kong, Deyuan; Clearfield, Abraham; Zoń, Jerzy","Crystal-Engineered Three-Dimensional Hydrogen-Bonding Networks Built with 1,3,5-Benzenetri(phosphonic acid) and Bipyridine Synthons","Crystal Growth & Design","2005","5","5","1767","","10.1021/cg050033w","","","0.71073","MoKα","","0.0783","0.0674","","","0.1696","0.1845","","","","","","1.132","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505095","14.268","0.004","5.0065","0.0012","15.557","0.004","90","","90","","90","","1111.3","0.5","298","2","298","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C7 H8 Ag Cl N4 O4 -","- C7 H8 Ag Cl N4 O4 -","- C28 H32 Ag4 Cl4 N16 O16 -","4","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0503","0.0357","","","0.0798","0.0866","","","","","","1.07","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505096","12.1263","0.0016","12.1263","0.0016","17.632","0.005","90","","90","","90","","2592.7","0.9","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","{[cu2(l)4(h2o)4].cl4.(h2o)5.(aceton)}n","","","- C31 H56 Cl4 Cu2 N16 O10 -","- C31 H34.04 Cl4 Cu2 N16 O10 -","- C62 H68.08 Cl8 Cu4 N32 O20 -","2","0.125","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.1089","0.0586","","","0.1625","0.191","","","","","","1.052","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505097","9","0.002","9.14","0.002","12.421","0.002","90","","91.048","0.003","90","","1021.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 B2 Cu F8 N8 O0 -","- C14 H16 B2 Cu F8 N8 -","- C28 H32 B4 Cu2 F16 N16 -","2","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.06","0.0436","","","0.1134","0.1261","","","","","","1.02","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505098","9.131","0.003","9.253","0.003","12.435","0.004","90","","92.58","0.005","90","","1049.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Cu N8 O8 -","- C14 H16 Cl2 Cu N8 O8 -","- C28 H32 Cl4 Cu2 N16 O16 -","2","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0655","0.047","","","0.1139","0.1244","","","","","","1.026","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505099","12.348","0.005","12.115","0.005","18.837","0.008","90","","100.775","0.006","90","","2768","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cl2 K0 N12 O8 S0 Zn -","- C21 H24 Cl2 N12 O8 Zn -","- C84 H96 Cl8 N48 O32 Zn4 -","4","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0847","0.059","","","0.1432","0.1581","","","","","","1.086","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505100","12.632","0.005","12.136","0.005","18.968","0.008","90","","99.78","0.006","90","","2866","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 Cd Cl2 K0 N12 O8 S0 -","- C21 H24 Cd Cl2 N12 O8 -","- C84 H96 Cd4 Cl8 N48 O32 -","4","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0559","0.0445","","","0.119","0.129","","","","","","1.047","","","","has coordinates,has disorder","179586","2020-10-21","18:00:00",""
"4505101","16.347","0.006","9.346","0.003","7.156","0.002","90","","111.551","0.004","90","","1016.9","0.6","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H16 Cd N14 O0 -","- C14 H16 Cd N14 -","- C28 H32 Cd2 N28 -","2","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0248","0.0246","","","0.0618","0.0619","","","","","","1.119","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505102","15.9751","0.001","15.9751","0.001","21.701","0.003","90","","90","","90","","5538.2","0.9","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H28 Cl2 N8 O8 Zn -","- C20 H28 Cl2 N8 O8 Zn -","- C160 H224 Cl16 N64 O64 Zn8 -","8","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0944","0.0797","","","0.2407","0.2593","","","","","","1.133","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505103","12.1263","0.0016","12.1263","0.0016","17.632","0.005","90","","90","","90","","2592.7","0.9","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C17 H27 Cl2 Cu N8 O3.5 -","- C17 H20 Cl2 Cu N8 O3.5 -","- C68 H80 Cl8 Cu4 N32 O14 -","4","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.1111","0.0597","","","0.1448","0.1727","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505104","36.81","0.03","10.419","0.009","11.955","0.01","90","","90","","90","","4585","7","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C46 H32.5 N6 O8.25 Zn2 -","- C46 H32 N6 O8.25 Zn2 -","- C184 H128 N24 O33 Zn8 -","4","1","","Dai, Yu-Mei; Ma, En; Tang, En; Zhang, Jian; Li, Zhao-Ji; Huang, Xu-Dong; Yao, Yuan-Gen","Paratactic Assembly of Two Distinct Units into a Unique 3D Architecture","Crystal Growth & Design","2005","5","4","1313","","10.1021/cg0500425","","","0.71073","MoKα","","","0.049","","","0.1074","0.1575","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505105","34.238","0.013","12.321","0.005","15.762","0.006","90","","90","","90","","6649","4","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H32 N4 O4 -","- C39 H32 N4 O4 -","- C312 H256 N32 O32 -","8","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.0896","0.0566","","","0.1165","0.1288","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505106","9.331","0.0012","10.9334","0.0014","20.492","0.003","96.124","0.003","100.397","0.003","110.341","0.003","1895.2","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O6 -","- C43 H44 N4 O6 -","- C86 H88 N8 O12 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.0745","0.0601","","","0.1591","0.1704","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505107","17.86","0.06","7.62","0.03","22.85","0.08","90","","104.25","0.1","90","","3014","19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 N3 O4 -","- C37 H31 N3 O4 -","- C148 H124 N12 O16 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.0977","0.0649","","","0.1445","0.1601","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505108","10.0382","0.0014","14.5786","0.0018","10.1183","0.0014","90","","101.79","0.003","90","","1449.5","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Self-Assembly of Tetraphenol and Its Complexes with Aromatic Diamines: Novel Interpenetrating and Noninterpenetrating Organic Assemblies","Crystal Growth & Design","2005","5","4","1575","","10.1021/cg050050l","","","0.71073","MoKα","","0.058","0.046","","","0.1127","0.1198","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505109","5.2784","0.0014","6.7945","0.0017","10.313","0.003","70.89","0.03","87.74","0.03","70.57","0.03","328.58","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","TTF(CH2OH)4","tetrakis(hydroxylmethyl)tetrathiafulvalene","","- C10 H12 O4 S4 -","- C10 H12 O4 S4 -","- C10 H12 O4 S4 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0369","0.0235","","","0.0481","0.0512","","","","","","0.934","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505110","8.8407","0.0008","13.6353","0.0013","14.5467","0.0015","79.118","0.012","82.433","0.012","88.411","0.011","1707","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","TTF(CH2OH)4, Re6S5Cl9, 0.5CH3CN","[TTF(CH2OH)4][Re6S5Cl9](CH3CN)0.5","","- C11 H13.5 Cl9 N0.5 O4 Re6 S9 -","- C11 H12 Cl9 N0.5 O4 Re6 S9 -","- C22 H24 Cl18 N O8 Re12 S18 -","2","1","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0687","0.0374","","","0.0838","0.0926","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505111","9.6045","0.0011","11.7209","0.0013","12.0618","0.0013","62.929","0.012","69.909","0.013","84.735","0.013","1132.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2 TTF(CH2OH)4, Re6S6Cl8","[TTF(CH2OH)4]2[Re6S6Cl8]","","- C20 H24 Cl8 O8 Re6 S14 -","- C20 H12 Cl8 O8 Re6 S14 -","- C20 H12 Cl8 O8 Re6 S14 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0615","0.044","","","0.1003","0.1063","","","","","","1.076","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505112","9.4212","0.0011","12.0528","0.0014","12.1076","0.0016","62.475","0.013","70.948","0.014","84.463","0.014","1150","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2 TTF(CH2OH)4, Mo6Cl14","[TTF(CH2OH)4]2[Mo6Cl14]","","- C20 H24 Cl14 Mo6 O8 S8 -","- C20 H20 Cl14 Mo6 O8 S8 -","- C20 H20 Cl14 Mo6 O8 S8 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0339","0.0271","","","0.0724","0.0743","","","","","","1.04","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505113","12.045","0.002","12.427","0.003","25.76","0.005","91.86","0.03","100","0.03","108.54","0.03","3584.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4(TTF(CH2OH)4), Re6S7Cl7, Cl","[TTF(CH2OH)4]4[Re6S7Cl7]Cl","","- C40 H48 Cl8 O16 Re6 S23 -","- C40 H43 Cl8.04 O16 Re6 S23.04 -","- C80 H86 Cl16.08 O32 Re12 S46.08 -","2","1","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0942","0.0397","","","0.0772","0.0917","","","","","","1","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505114","16.393","0.002","16.393","0.002","26.063","0.005","90","","90","","90","","7003.9","1.8","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","(TTF(CH2OH)4)4, Re6S8Cl6","[TTF(CH2OH)4]4[Re6S8Cl6]","","- C40 H48 Cl6 O16 Re6 S24 -","- C40 H48 Cl6 O16 Re6 S24 -","- C160 H192 Cl24 O64 Re24 S96 -","4","0.25","","Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick","Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3)","Crystal Growth & Design","2005","5","4","1585","","10.1021/cg0500573","","","0.71073","MoKα","","0.0502","0.0245","","","0.044","0.0485","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505115","35.8","0.004","35.8","0.004","35.8","0.004","90","","90","","90","","45883","9","173","2","173","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","silver tris(2-pyridylmethyl)cyclotriguaiacylene hexafluorophosphine","","","- C42 H39 Ag1.5 F9 N3 O6 P1.5 -","- C42 H39 Ag1.5 F9.03 N3 O6 P1.5 -","- C1344 H1248 Ag48 F288.96 N96 O192 P48 -","32","0.333333","","Sumby, Christopher J.; Hardie, Michaele J.","Disentangling Disorder in the Three-Dimensional Coordination Network of {Ag3[Tris(2-pyridylmethyl)cyclotriguaiacylene]2}(PF6)3","Crystal Growth & Design","2005","5","4","1321","","10.1021/cg050061e","","","0.71073","MoKα","","0.2193","0.1574","","","0.3641","0.4178","","","","","","2.748","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505116","17.699","0.003","18.111","0.003","18.844","0.003","111.183","0.002","93.828","0.001","102.13","0.002","5438.6","1.6","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.052","","","","0.12","","","","","","0.721","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505117","17.719","0.002","18.116","0.002","18.852","0.003","111.27","0.002","93.8","0.002","102.006","0.002","5448.8","1.2","123.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.059","","","","0.125","","","","","","0.576","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505118","17.752","0.004","18.146","0.005","18.871","0.005","111.246","0.005","93.85","0.004","101.827","0.002","5478","2","160.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.056","","","","0.127","","","","","","0.587","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505119","17.767","0.004","18.158","0.005","18.879","0.005","111.22","0.005","93.872","0.004","101.834","0.002","5490","2","180.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.058","","","","0.132","","","","","","0.588","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505120","17.814","0.005","18.219","0.006","18.881","0.006","111.085","0.005","94.033","0.005","102.044","0.003","5520","3","233.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C320 H240 N16 -","8","4","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.071","","","","0.163","","","","","","0.569","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505121","9.438","0.002","17.227","0.004","17.804","0.004","74.978","0.009","85.936","0.013","80.331","0.012","2754.9","1.1","233.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C160 H120 N8 -","4","2","","Kawai, Hidetoshi; Takeda, Takashi; Fujiwara, Kenshu; Inabe, Tamotsu; Suzuki, Takanori","Exceptionally Large Difference in Bond Length among Conformational Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene Skeleton†","Crystal Growth & Design","2005","5","6","2256","","10.1021/cg050064r","","","0.7107","MoKα","","","0.067","","","","0.141","","","","","","0.732","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505122","5.7997","0.0018","15.664","0.005","7.911","0.002","90","","109.729","0.002","90","","676.5","0.3","130.15","","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Mn O8 P -","- C2 H7 Mn O8 P -","- C8 H28 Mn4 O32 P4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","0.0197","0.0188","","","0.0486","0.0492","","","","","","1.117","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505123","5.731","0.002","15.504","0.006","7.861","0.003","90","","109.287","0.004","90","","659.3","0.4","130.15","","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Fe O8 P -","- C2 H7 Fe O8 P -","- C8 H28 Fe4 O32 P4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","0.0268","0.0245","","","0.0601","0.0612","","","","","","1.145","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505124","5.678","0.002","15.469","0.006","7.846","0.003","90","","109.522","0.003","90","","649.5","0.4","130.15","","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Co O8 P -","- C2 H7 Co O8 P -","- C8 H28 Co4 O32 P4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","0.0223","0.0201","","","0.0478","0.0487","","","","","","1.082","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505125","5.72","0.0007","15.5327","0.0017","7.8528","0.0009","90","","110.332","0.003","90","","654.23","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 O8 P Zn -","- C2 H7 O8 P Zn -","- C8 H28 O32 P4 Zn4 -","4","1","","Fu, Ruibiao; Xiang, Shengchang; Zhang, Huishuang; Zhang, Jianjun; Wu, Xintao","Syntheses, Characterization, and Magnetic Properties of Four New Layered Transition-Metal Hydroxyl−Carboxylate−Phosphonates: [M(CH(OH)(CO2)(PO3H))(H2O)2] (M = Mn, Fe, Co, Zn)","Crystal Growth & Design","2005","5","5","1795","","10.1021/cg050065j","","","0.71073","MoKα","","","0.0794","","","0.198","0.2213","","","","","","1.078","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505126","29.2257","0.0019","6.6092","0.0004","29.855","0.0019","90","","108.838","0.001","90","","5457.9","0.6","293","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-nitroaniline (S)-10-camphorsulfonic acid. 0.5 water","","- C96 H138 N12 O39 S6 -","- C96 H138 N12 O39 S6 -","- C192 H276 N24 O78 S12 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Remote Functionalized Nonlinear Optical Chromophore: Optimal Assembly in Crystals for Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1831","","10.1021/cg050066b","","","0.71073","MoKα","","0.0763","0.0507","","","0.1132","0.1257","","","","","","1.007","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505127","8.3786","0.0012","7.5384","0.0014","16.4319","0.0019","90","","101.385","0.01","90","","1017.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-aminoethyl)-4-nitroaniline (S)-10-camphorsulfonic acid","","- C18 H27 N3 O6 S -","- C18 H27 N3 O6 S -","- C36 H54 N6 O12 S2 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Remote Functionalized Nonlinear Optical Chromophore: Optimal Assembly in Crystals for Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1831","","10.1021/cg050066b","","","0.71073","MoKα","","0.0792","0.0487","","","0.1132","0.1431","","","","","","1.12","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505128","7.8179","0.0016","9.4709","0.0019","15.568","0.003","90","","91.16","0.03","90","","1152.5","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(2-amino-4-hydroxypteridinate)ethylenediaminenickel(II)","","- C7 H13 N6 Ni0.5 O3.5 -","- C7 H13 N6 Ni0.5 O3.5 -","- C28 H52 N24 Ni2 O14 -","4","1","","Crispini, Alessandra; Pucci, Daniela; Bellusci, Anna; Barberio, Giovanna; La Deda, Massimo; Cataldi, Antonella; Ghedini, Mauro","Hydrogen-Bonding Network in Metal−Pterin Complexes: Synthesis and Characterization of Water-Soluble Octahedral Nickel and Cadmium Pterine Derivatives","Crystal Growth & Design","2005","5","4","1597","","10.1021/cg050075k","","","0.71073","MoKα","","0.0862","0.065","","","0.1828","0.1949","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505129","8.1675","0.0017","21.554","0.005","11.11","0.002","90","","93.822","0.003","90","","1951.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cd N2 O9 P -","- C15 H21 Cd N2 O9 P -","- C60 H84 Cd4 N8 O36 P4 -","4","1","","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun","Extended Water Tapes of Cyclic Hexamers Encapsulated in the Channels of a Metal Phosphonocarboxylate Network","Crystal Growth & Design","2005","5","4","1335","","10.1021/cg0500829","","","0.71073","MoKα","","0.0568","0.0356","","","0.0637","0.0703","","","","","","0.855","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505130","11.5319","0.0003","24.2933","0.0005","7.4351","0.0001","90","","95.1658","0.0008","90","","2074.47","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Mn N8 O2 -","- C20 H12 Mn N8 O2 -","- C80 H48 Mn4 N32 O8 -","4","1","","Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Batten, Stuart R.","A Novel Three-Dimensional Network Containing Mn(II) Ions and Tricyanomethanide with Rare 46.64Topology","Crystal Growth & Design","2005","5","4","1331","","10.1021/cg0500831","","","0.71073","MoKα","","0.0758","0.0335","","","0.0656","0.071","","","","","","0.923","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505131","13.3658","0.0002","19.5386","0.0003","24.7121","0.0004","85.67","","84.58","","88.38","","6404.9","0.17","90","1","90","1","","","","","","","","4","P -1","-P 1","2","[Zn(II)TPP]2Prz*C60","bis-(tetraphenylporphirinate Zn(II))pyrazine fullerene molecular complex","","- C190.5 H98.02 N10.66 Zn2 -","- C190.5 H98.02 N10.66 Zn2 -","- C381 H196.04 N21.32 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0774","0.0624","","","0.1724","0.1827","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505132","13.231","0.0013","49.036","0.005","23.027","0.002","90","","92.042","0.004","90","","14930","2","90","1","90","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(ZnTPP)2BPy]C60-C7H8","","","- C246 H96 N10 Zn2 -","- C246 H96 N10 Zn2 -","- C984 H384 N40 Zn8 -","4","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.226","0.1112","","","0.2706","0.3349","","","","","","0.902","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505133","16.6488","0.001","19.0749","0.0011","21.5917","0.0013","90.344","0.002","105.864","0.002","96.447","0.002","6549.3","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","[60]fullerene ZnTPP TPyP clathrate","[60]fullerene zinc tetraphenylporphyrinate tetra(4-pyridyl)porphyrine clathrate","","- C180.25 H77.75 N13.75 Zn2 -","- C180.25 H77.75 N13.75 Zn2 -","- C360.5 H155.5 N27.5 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.2379","0.0842","","0.2666","0.1959","","","","0.868","1.251","1.251","","","","","has coordinates,has disorder","179586","2020-10-21","18:00:00",""
"4505134","32.4381","0.0014","26.4829","0.0011","35.0797","0.0016","90","","115.202","0.001","90","","27267","2","90","1","90","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[ZnTPP(THF)]2x[C60]6.4xC6H5Cl","","","- C486 H76 Cl2 N8 O2 Zn2 -","- C486 H76 Cl N8 O2 Zn2 -","- C1944 H304 Cl4 N32 O8 Zn8 -","4","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.2902","0.2173","","","0.5341","0.5675","","","","","","4.108","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505135","15.0589","0.0004","19.1974","0.0005","24.4592","0.0006","90","","90","","90","","7071","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[ZnTPP(TMDAE)]xC60x(C6H6)0.7x(C6H5Cl)0.3","","","- C116 H49.7 Cl0.3 N6 Zn -","- C116 H49.7 Cl0.3 N6 Zn -","- C464 H198.8 Cl1.2 N24 Zn4 -","4","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0622","0.0454","","","0.1113","0.1259","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505136","17.7901","0.0013","13.4236","0.001","40.358","0.003","90","","99.313","0.001","90","","9510.7","1.2","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(ZnTPP)2BPy]-C6H5CN","","","- C126 H84 N14 Zn2 -","- C126 H84 N14 Zn2 -","- C504 H336 N56 Zn8 -","4","0.5","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0703","0.0515","","","0.1025","0.1087","","","","","","1.079","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4505137","17.9296","0.0007","13.4047","0.0005","39.8176","0.0015","90","","99.769","0.001","90","","9431","0.6","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(CoTPP)2BPy]-C6H5CN","","","- C126 H84 Co2 N14 -","- C126 H84 Co2 N14 -","- C504 H336 Co8 N56 -","4","0.5","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0512","0.0369","","","0.0929","0.0977","","","","","","1.043","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505138","11.3466","0.0006","11.3616","0.0006","21.5015","0.0011","82.539","0.002","89.719","0.002","73.093","0.002","2628","0.2","90","1","90","1","","","","","","","","4","P -1","-P 1","2","[(ZnTPP)2-BPE]-BPE-C6H5CN-C7H8","","","- C70 H47.5 N7.5 Zn -","- C70 H47.5 N7.5 Zn -","- C140 H95 N15 Zn2 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.1762","0.0821","","","0.1955","0.2353","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505139","8.3431","0.0009","21.468","0.003","10.2766","0.0012","90","","99.415","0.002","90","","1815.8","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Mo8 N4 O32 -","- C12 H32 Mo8 N4 O32 -","- C24 H64 Mo16 N8 O64 -","2","0.5","","Upreti, Shailesh; Ramanan, Arunachalam","Structure-Directing Role of Hydrogen-Bonded Dimers of Phenylenediammonium Cations: Supramolecular Assemblies of Octamolybdate-Based Organic−Inorganic Hybrids","Crystal Growth & Design","2005","5","5","1837","","10.1021/cg050100m","","","0.71073","MoKα","","0.039","0.0313","","","0.0657","0.0686","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505140","10.8142","0.0013","14.1329","0.0017","11.1412","0.0014","90","","97.63","0.002","90","","1687.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Mo8 N4 O30 -","- C12 H28 Mo8 N4 O30 -","- C24 H56 Mo16 N8 O60 -","2","0.5","","Upreti, Shailesh; Ramanan, Arunachalam","Structure-Directing Role of Hydrogen-Bonded Dimers of Phenylenediammonium Cations: Supramolecular Assemblies of Octamolybdate-Based Organic−Inorganic Hybrids","Crystal Growth & Design","2005","5","5","1837","","10.1021/cg050100m","","","0.71073","MoKα","","0.0216","0.0205","","","0.0517","0.0522","","","","","","1.167","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505141","27.502","0.005","11.622","0.002","14.138","0.002","90","","109.442","0.003","90","","4261.2","1.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Mo8 N8 O28 -","- C24 H36 Mo8 N8 O28 -","- C96 H144 Mo32 N32 O112 -","4","0.5","","Upreti, Shailesh; Ramanan, Arunachalam","Structure-Directing Role of Hydrogen-Bonded Dimers of Phenylenediammonium Cations: Supramolecular Assemblies of Octamolybdate-Based Organic−Inorganic Hybrids","Crystal Growth & Design","2005","5","5","1837","","10.1021/cg050100m","","","0.71073","MoKα","","0.0266","0.0251","","","0.0623","0.063","","","","","","1.162","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505142","9.0097","0.0008","9.7735","0.0005","10.8421","0.0002","60.379","0.014","67.235","0.016","70.25","0.018","752.38","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H40 Mn2 N10 S6 Sn2 -","- C10 H40 Mn2 N10 S6 Sn2 -","- C10 H40 Mn2 N10 S6 Sn2 -","1","0.5","","Gu, Xiao-Mei; Dai, Jie; Jia, Ding-Xian; Zhang, Yong; Zhu, Qin-Yu","Two-Step Solvothermal Preparation of a Coordination Polymer Containing a Transition Metal Complex Fragment and a Thiostannate Anion: [{Mn(en)2}2(μ-en)(μ-Sn2S6)]∞(en, Ethylenediamine)","Crystal Growth & Design","2005","5","5","1845","","10.1021/cg050109o","","","0.7107","MoKα","","0.0238","0.0218","","","0.0461","0.0468","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505143","8.1051","0.0007","17.6812","0.0014","8.5047","0.0007","90","","90.072","0.007","90","","1218.79","0.17","130.2","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co3 N6 O14 -","- C20 H22 Co3 N6 O14 -","- C40 H44 Co6 N12 O28 -","2","0.5","","Wang, Yu-Ling; Yuan, Da-Qiang; Bi, Wen-Hua; Li, Xing; Li, Xiao-Ju; Li, Feng; Cao, Rong","Syntheses and Characterizations of Two 3D Cobalt−Organic Frameworks from 2D Honeycomb Building Blocks","Crystal Growth & Design","2005","5","5","1849","","10.1021/cg0501128","","","0.71073","MoKα","","0.0705","0.0547","","","0.1016","0.1092","","","","","","1.058","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505144","11.4932","0.0002","11.6132","0.0001","11.8182","0.0001","65.275","0.008","81.174","0.012","72.752","0.01","1367.58","0.12","293","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 Co3 N11 O15 -","- C43 H30 Co3 N11 O15 -","- C43 H30 Co3 N11 O15 -","1","0.5","","Wang, Yu-Ling; Yuan, Da-Qiang; Bi, Wen-Hua; Li, Xing; Li, Xiao-Ju; Li, Feng; Cao, Rong","Syntheses and Characterizations of Two 3D Cobalt−Organic Frameworks from 2D Honeycomb Building Blocks","Crystal Growth & Design","2005","5","5","1849","","10.1021/cg0501128","","","0.71073","MoKα","","0.0943","0.0759","","","0.2146","0.2295","","","","","","1.097","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505145","6.436","0.002","15.863","0.005","20.213","0.007","90","","90","","90","","2063.6","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1-hydroxymethyl-2-methylpropyl)-4-(1,2,3,4- tetrahydro-1,4-methanonaphthalene-9-carbonyl)-benzamide","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1944","0.0706","","","0.1103","0.1485","","","","","","0.972","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505146","5.419","0.001","10.052","0.002","39.197","0.007","90","","90","","90","","2135.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(1-cyclohexylethyl)-4-(1,2,3,4-tetrahydro-1,4- methanonaphthalene-9-carbonyl)benzamide","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C108 H124 N4 O8 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.124","0.0764","","","0.1564","0.1765","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505147","46.067","0.008","7.01","0.001","14.141","0.002","90","","107.076","0.003","90","","4365.2","1.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-N-(1-hydroxymethyl-2-phenylethyl)-4-(1,2,3,4-tetra hydro-1,4-methanonaphthalene-9-carbonyl)benzamide","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C224 H216 N8 O24 -","8","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.154","0.0597","","","0.0922","0.1185","","","","","","0.958","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505148","13.703","0.003","6.6574","0.0014","25.878","0.005","90","","93.116","0.004","90","","2357.3","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C116 H116 N4 O12 -","4","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1607","0.0809","","","0.167","0.2072","","","","","","0.97","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505149","8.8813","0.0008","12.9697","0.0011","10.3687","0.0009","90","","109.938","0.001","90","","1122.76","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(2-adamantan-1-ylacetyl)-N-((R)-1-phenylethyl)benzamide","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C54 H62 N2 O4 -","2","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0472","0.0446","","","0.1102","0.1121","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505150","9.4834","0.0007","11.4733","0.0008","10.5049","0.0007","90","","101.892","0.001","90","","1118.46","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-(2-adamantan-1-ylacetyl)-N-(1-phenylpropyl) benzamide","","- C28 H33 N O2 -","- C28 H33 N O2 -","- C56 H66 N2 O4 -","2","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0521","0.0416","","","0.0899","0.0951","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505151","19.561","0.005","10.652","0.003","9.899","0.003","90","","99.531","0.005","90","","2034.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(adamantyl-1-yl-acetyl)-N-(1,2-dimethylpropyl) benzamide","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C96 H132 N4 O8 -","4","2","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.2401","0.0734","","","0.1048","0.1476","","","","","","0.915","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505152","33.5","0.004","6.2922","0.0008","11.84","0.01","90","","110.464","0.002","90","","2338","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-(2-adamantan-1-ylacetyl)benzoic acid 2,6,6- trimethylbicyclo[3.1.1]hept-3-yl ester","","- C29 H38 O3 -","- C29 H38 O3 -","- C116 H152 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.0908","0.0554","","","0.1118","0.1231","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505153","11.007","0.003","6.528","0.002","27.722","0.007","90","","90.435","0.004","90","","1991.9","1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-(2-adamantan-1-ylacetyl)benzoic acid 2-bromo-1-methylethyl ester","","- C23 H29 Br O3 -","- C23 H27 Br0.99 O3 -","- C92 H108 Br3.96 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1775","0.1383","","","0.2894","0.3081","","","","","","1.079","","","","has coordinates,has disorder","179586","2020-10-21","18:00:00",""
"4505154","13.5047","0.001","22.3136","0.0017","6.8889","0.0005","90","","90","","90","","2075.9","0.3","173","2","173","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C15 H25 N4 O9 S -","- C15 H25 N4 O9 S -","- C60 H100 N16 O36 S4 -","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","","","0.71073","MoKα","","0.0789","0.0443","","","0.0918","0.1022","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:15",""
"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",""
"4505156","14.9757","0.001","7.2578","0.0005","20.0261","0.0013","90","","90","","90","","2176.6","0.3","173","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H18 N8 O10 S2 -","- C14 H18 N8 O10 S2 -","- C56 H72 N32 O40 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","","","0.71073","MoKα","","0.0472","0.0358","","","0.0761","0.0791","","","","","","0.951","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505157","7.4632","0.0015","12.587","0.003","29.788","0.006","90","","93.983","0.004","90","","2791.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 N4 O3 S -","- C10 H15 N4 O3 S -","- C80 H120 N32 O24 S8 -","8","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.0656","0.0621","","","0.1491","0.151","","","","","","1.107","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505158","25.53","0.004","14.088","0.002","11.9203","0.0019","90","","90","","90","","4287.3","1.1","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cl2 N6 O6 S2 -","- C18 H26 Cl2 N6 O6 S2 -","- C72 H104 Cl8 N24 O24 S8 -","4","0.5","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.154","0.0797","","","0.1964","0.2237","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505159","25.574","0.005","14.097","0.003","11.77","0.002","90","","90","","90","","4243.3","1.4","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cl2 N6 O6 S2 -","- C10.2857 H14.8571 Cl1.14286 N3.42857 O3.42857 S1.14286 -","- C72 H104 Cl8 N24 O24 S8 -","7","0.875","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.71073","MoKα","","0.1811","0.0932","","","0.1973","0.2313","","","","","","1.038","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505160","18.734","0.002","19.448","0.004","7.724","0.001","90","","90","","90","","2814.2","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C80 H96 Cl16 N48 O16 -","16","1","","Kaftory, Menahem; Botoshansky, Mark; Sheinin, Yana","Dimormorphism and Cocrystal Formation of 3-(Chloroacetamido)pyrazole","Crystal Growth & Design","2005","5","6","2242","","10.1021/cg0501229","","","0.71073","MoKα","","0.0463","0.0342","","","0.0859","0.0918","","","","","","0.996","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505161","23.83","0.005","23.83","0.005","5.196","0.001","90","","90","","90","","2950.6","1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Yana-370","","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C80 H96 Cl16 N48 O16 -","16","1","","Kaftory, Menahem; Botoshansky, Mark; Sheinin, Yana","Dimormorphism and Cocrystal Formation of 3-(Chloroacetamido)pyrazole","Crystal Growth & Design","2005","5","6","2242","","10.1021/cg0501229","","","0.71073","MoKα","","0.1481","0.0488","","","0.114","0.1465","","","","","","0.81","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505162","5.157","0.001","14.293","0.002","15.318","0.003","90","","103.24","0.03","90","","1099.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yana-31-I","","","- C7 H9 Cl2 N3 O3 -","- C7 H9 Cl2 N3 O3 -","- C28 H36 Cl8 N12 O12 -","4","1","","Kaftory, Menahem; Botoshansky, Mark; Sheinin, Yana","Dimormorphism and Cocrystal Formation of 3-(Chloroacetamido)pyrazole","Crystal Growth & Design","2005","5","6","2242","","10.1021/cg0501229","","","0.71073","MoKα","","0.0827","0.0441","","","0.1111","0.1233","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505163","9.2636","0.0009","9.79","0.0009","10.7319","0.001","90","","115.025","0.001","90","","881.91","0.14","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","N,N'-bis(benzoyl)-(1R,2R)-diaminocyclohexane","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Anthony, S. Philip; Basavaiah, K.; Radhakrishnan, T. P.","Chiral Vicinal Bis(amide) Molecules: Polar/Helical Assemblies in Crystals and Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1663","","10.1021/cg0501231","","","0.71073","MoKα","","0.0541","0.0407","","","0.0801","0.0847","","","","","","0.928","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505164","5.1328","0.0004","17.2924","0.0014","18.9976","0.0015","90","","90","","90","","1686.2","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N,N'-bis(isonicotinoyl)(1R,2R)diaminocyclohexane","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","","Anthony, S. Philip; Basavaiah, K.; Radhakrishnan, T. P.","Chiral Vicinal Bis(amide) Molecules: Polar/Helical Assemblies in Crystals and Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1663","","10.1021/cg0501231","","","0.71073","MoKα","","0.0907","0.044","","","0.0788","0.0901","","","","","","0.88","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505165","8.542","","9.243","0.0001","10.1091","0.0002","70.035","0.01","67.654","0.012","79.818","0.014","692.83","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cd N2 O5 -","- C13 H13 Cd N2 O5 -","- C26 H26 Cd2 N4 O10 -","2","1","","Li, Xiaoju; Cao, Rong; Bi, Wenhua; Wang, Yanqin; Wang, Yuling; Li, Xing; Guo, Zhengang","A New Family of Cadmium(II) Coordination Polymers from Coligands: Effect of the Coexistent Groups (R = H, −NO2, −OH) on Crystal Structures and Properties","Crystal Growth & Design","2005","5","4","1651","","10.1021/cg050126d","","","0.71073","MoKα","","0.0408","0.0344","","","0.1027","0.1121","","","","","","0.84","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505166","8.411","0.003","10.05","0.003","10.664","0.003","91.273","0.002","103.991","0.003","113.77","0.003","793.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd2 N6 O14 -","- C26 H24 Cd2 N6 O14 -","- C26 H24 Cd2 N6 O14 -","1","0.5","","Li, Xiaoju; Cao, Rong; Bi, Wenhua; Wang, Yanqin; Wang, Yuling; Li, Xing; Guo, Zhengang","A New Family of Cadmium(II) Coordination Polymers from Coligands: Effect of the Coexistent Groups (R = H, −NO2, −OH) on Crystal Structures and Properties","Crystal Growth & Design","2005","5","4","1651","","10.1021/cg050126d","","","0.71073","MoKα","","0.0355","0.032","","","0.0865","0.0901","","","","","","0.676","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505167","15.187","0.004","14.094","0.003","13.069","0.003","90","","109.117","0.002","90","","2643.1","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Cd N2 O6 -","- C13 H13 Cd N2 O6 -","- C104 H104 Cd8 N16 O48 -","8","1","","Li, Xiaoju; Cao, Rong; Bi, Wenhua; Wang, Yanqin; Wang, Yuling; Li, Xing; Guo, Zhengang","A New Family of Cadmium(II) Coordination Polymers from Coligands: Effect of the Coexistent Groups (R = H, −NO2, −OH) on Crystal Structures and Properties","Crystal Growth & Design","2005","5","4","1651","","10.1021/cg050126d","","","0.71073","MoKα","","0.0217","0.0205","","","0.0897","0.0921","","","","","","0.847","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505168","9.377","0.0019","10.671","0.002","11.907","0.002","90","","108.4","0.03","90","","1130.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Br F4 N -","- C13 H6 Br F4 N -","- C52 H24 Br4 F16 N4 -","4","1","","Lucassen, André C. B.; Vartanian, Maida; Leitus, Gregory; van der Boom, Milko E.","4‘-Bromo-2‘,3‘,5‘,6‘-tetrafluorostilbazole: Donor and Acceptor Site for Halogen Bonding and π-Stacking in One Rigid-Rod-Type Molecule","Crystal Growth & Design","2005","5","5","1671","","10.1021/cg0501433","","","0.71073","MoKα","","0.0276","0.0241","","","0.0577","0.0591","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505169","8.0456","0.0007","11.4433","0.001","16.9978","0.0015","90","","93.866","0.002","90","","1561.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bipyridine suucinato nickel","","","- C14 H18 N2 Ni O7 -","- C14 H18 N2 Ni O7 -","- C56 H72 N8 Ni4 O28 -","4","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0779","0.058","","","0.1275","0.1365","","","","","","1.004","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505170","8.1405","0.0003","11.4833","0.0005","17.0073","0.0007","90","","94.193","0.001","90","","1585.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bipyridine succinato cobalt","","","- C14 H18 Co N2 O7 -","- C14 H18 Co N2 O7 -","- C56 H72 Co4 N8 O28 -","4","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0461","0.0402","","","0.0967","0.1002","","","","","","1.063","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505171","7.4798","0.0004","10.2092","0.0006","10.5362","0.0006","97.533","0.001","106.675","0.001","100.837","0.001","742.21","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","phenanthroline succinato nickel","","","- C16 H14 N2 Ni O5 -","- C16 H14 N2 Ni O5 -","- C32 H28 N4 Ni2 O10 -","2","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0524","0.0461","","","0.1041","0.1077","","","","","","1.078","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505172","7.5222","0.0006","10.3016","0.0008","10.5214","0.0008","97.624","0.001","106.787","0.001","100.583","0.001","752.2","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","phenanthroline succinato cobalt","","","- C16 H14 Co N2 O5 -","- C16 H14 Co N2 O5 -","- C32 H28 Co2 N4 O10 -","2","1","","Zhou, Zhao-Hui; Yang, Jin-Mei; Wan, Hui-Lin","Diamine Substitution Reactions of Tetrahydrate Succinato Nickel, Cobalt, and Zinc Coordination Polymers","Crystal Growth & Design","2005","5","5","1825","","10.1021/cg050150r","","","0.71073","MoKα","","0.0703","0.0509","","","0.0951","0.1047","","","","","","1.007","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505173","4.6868","0.0003","18.4268","0.0012","14.7201","0.0009","90","","90.5","0.001","90","","1271.22","0.14","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Rafilovich, Michal; Bernstein, Joel; Harris, Robin K.; Apperley, David C.; Karamertzanis, Panagiotis G.; Price, Sarah L.","Groth's Original Concomitant Polymorphs Revisited","Crystal Growth & Design","2005","5","6","2197","","10.1021/cg050151j","","","0.71073","MoKα","","0.051","0.0465","","","0.1172","0.1212","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505174","24.744","0.005","7.3803","0.0015","3.736","0.0007","90","","96.39","0.004","90","","678","0.2","373","2","373","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Rafilovich, Michal; Bernstein, Joel; Harris, Robin K.; Apperley, David C.; Karamertzanis, Panagiotis G.; Price, Sarah L.","Groth's Original Concomitant Polymorphs Revisited","Crystal Growth & Design","2005","5","6","2197","","10.1021/cg050151j","","","0.71073","MoKα","","0.0484","0.0473","","","0.1199","0.1207","","","","","","1.131","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505175","11.6715","0.0004","13.2581","0.0004","18.4734","0.0006","90","","90","","90","","2858.61","0.16","183.2","","183.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Cl Mo O2 P2 -","- C32 H31 Cl Mo O2 P2 -","- C128 H124 Cl4 Mo4 O8 P8 -","4","1","","Faller, J. W.; Sarantopoulos, Nikos","Crystallization-Induced Asymmetric Transformations in Crotyl Molybdenum Complexes†","Crystal Growth & Design","2005","5","6","2356","","10.1021/cg050152b","","","0.7107","MoKα","","0.0596","0.034","","0.041","","0.034","","","0.759","","","0.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505176","9.8187","0.0006","16.4878","0.0007","11.0874","0.0007","90","","107.278","0.002","90","","1713.93","0.17","183.2","","183.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H37 Cl3 Mo O2 P2 -","- C35 H37 Cl3 Mo O2 P2 -","- C70 H74 Cl6 Mo2 O4 P4 -","2","1","","Faller, J. W.; Sarantopoulos, Nikos","Crystallization-Induced Asymmetric Transformations in Crotyl Molybdenum Complexes†","Crystal Growth & Design","2005","5","6","2356","","10.1021/cg050152b","","","0.7107","MoKα","","0.072","0.044","","0.067","","0.049","","","1.312","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505177","5.9429","0.0001","16.9118","0.0003","15.8675","0.0004","90","","94.0831","0.0007","90","","1590.72","0.06","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C68 H96 N8 O4 -","4","1","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.0678","0.0482","","","0.1229","0.1318","","","","","","1.404","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505178","13.3482","0.0003","10.436","0.0003","11.372","0.0003","90","","93.652","0.002","90","","1580.92","0.07","298","","","","","","","","","","Lahti group laboratory","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-di-t-butyl-4-hydroxyphenyl)-1,2,4-triazole","","- C16 H23 N3 O -","- C14 H21 N5 O -","- C56 H84 N20 O4 -","4","0.5","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.0706","0.0598","","","0.1676","0.1781","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505179","18.6369","0.0002","37.3688","0.0004","12.3269","0.0001","90","","109.288","0.0004","90","","8103.04","0.14","298","","","","","","","","","","zd1128","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C340 H480 N40 O20 -","20","5","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.1283","0.0615","","","0.1377","0.1683","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505180","9.9313","0.0002","11.9628","0.0002","15.316","0.0003","95.3533","0.0009","106.63","0.001","105.017","0.0008","1656.18","0.06","298","","","","","","","","","","Lahti group laboratory","4","P -1","-P 1","2","","","","- C18 H23 N2 O -","- C18 H23 N2 O -","- C72 H92 N8 O4 -","4","2","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","0.71073","MoKα","","0.1045","0.062","","","0.1565","0.1897","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505181","16.9957","0.0005","9.8726","0.0003","21.8641","0.0007","90","","90","","90","","3668.62","0.19","293","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Benzimidazolyl)-3,5-di-tert-butylphenol","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C168 H208 N16 O8 -","8","1","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","1.54178","CuKα","","0.0625","0.0492","","","0.1205","0.1277","","","","","","0.944","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505182","7.7985","0.0007","12.0911","0.001","13.2824","0.0011","106.716","0.002","99.849","0.002","90.897","0.002","1179.03","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H18 Br3 F6 N3 O5 P S2 -","- C10 H18 Br2.5 F6 N3 O5 P S2 -","- C20 H36 Br5 F12 N6 O10 P2 S4 -","2","1","","Zhu, Shizheng; Jiang, Huiling; Zhao, Jingwei; Li, Zhanting","Reaction of 1,1,3,3-Tetraoxa-2,2-dibromo- 4,4,5,5,6,6-hexafluoro-1,3-dithiacyclohexane with Pyrazine and Hexamethylphosphoramide: Unexpected Cocrystals through Halogen Bonding","Crystal Growth & Design","2005","5","5","1675","","10.1021/cg0501579","","","0.71073","MoKα","","0.0883","0.0694","","","0.1678","0.1735","","","","","","0.911","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505183","13.6434","0.0011","14.8362","0.0012","13.1386","0.0011","90","","118.375","0.001","90","","2339.9","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 F6 N4 O5 P S2 -","- C13 H27 F6 N4 O5 P S2 -","- C52 H108 F24 N16 O20 P4 S8 -","4","1","","Zhu, Shizheng; Jiang, Huiling; Zhao, Jingwei; Li, Zhanting","Reaction of 1,1,3,3-Tetraoxa-2,2-dibromo- 4,4,5,5,6,6-hexafluoro-1,3-dithiacyclohexane with Pyrazine and Hexamethylphosphoramide: Unexpected Cocrystals through Halogen Bonding","Crystal Growth & Design","2005","5","5","1675","","10.1021/cg0501579","","","0.71073","MoKα","","0.0708","0.0475","","","0.1135","0.1216","","","","","","0.933","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505184","7.707","0.001","4.869","0.001","13.3","0.001","90","","99.946","0.01","90","","491.59","0.13","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl2 N4 O4 -","- C6 H10 Cl2 N4 O4 -","- C12 H20 Cl4 N8 O8 -","2","0.5","","Kühl, Olaf; Goutal, Sigrid","Acid/Base versus Redox Reaction−The Case of Chloranilic Acid and Hydrazine: A Supramolecular Decision?","Crystal Growth & Design","2005","5","5","1875","","10.1021/cg0501581","","","0.71073","MoKα","","0.0263","0.0222","","","0.0576","0.0613","","","","","","1.124","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505185","7.6158","0.0015","18.64","0.004","5.6584","0.0014","90","","104.838","0.017","90","","776.5","0.3","294","","294","","","","1","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","0.71073","MoKα","","0.1291","0.0441","","0.1269","0.0542","0.0542","","","","","","1.1161","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505186","7.6462","0.0011","18.2905","0.0014","5.6092","0.0012","90","","106.057","0.016","90","","753.9","0.2","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 O2 -","- C9 H7 O2 -","- C36 H28 O8 -","4","1","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","1.5418","CuKα","","0.0695","0.0621","","0.0852","0.0751","0.0751","","","","","","0.9664","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505187","15.9958","0.0012","5.6586","0.0005","16.3091","0.0012","90","","99.615","0.006","90","","1455.5","0.2","294","","294","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","0.5","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","1.5418","CuKα","","0.0426","0.0349","","0.0509","0.0447","0.0447","","","","","","1.0407","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505188","31.296","0.004","4.0152","0.0017","6.083","0.002","90","","90.146","0.019","90","","764.4","0.4","294","","294","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.","Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†","Crystal Growth & Design","2005","5","6","2210","","10.1021/cg050160s","","","0.71073","MoKα","","0.1155","0.0364","","0.1009","0.0443","0.0443","","","","","","1.1248","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505189","14.741","0.002","9.137","0.0015","20.542","0.002","90","","90","","90","","2766.8","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N4 S2 -","- C12 H18 N4 S2 -","- C96 H144 N32 S16 -","8","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.072","0.044","","0.093","","0.042","","","1.08","","","1.14","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505190","8.834","0.004","12.4201","0.0018","17.0105","0.0017","90","","96.51","0.02","90","","1854.3","0.9","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H26 N4 S2 -","- C16 H19 N4 S2 -","- C64 H76 N16 S8 -","4","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.138","0.078","","0.156","","0.074","","","1.58","","","1.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505191","39.055","0.009","12.437","0.003","8.824","0.002","90","","101.08","0.02","90","","4206.2","1.7","296.2","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 N4 S2 -","- C18 H30 N4 S2 -","- C144 H240 N32 S16 -","8","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.252","0.121","","0.228","","0.11","","","1.49","","","2.13","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505192","23.056","0.002","8.6042","0.0009","9.45","0.001","90","","107.38","0.01","90","","1789.1","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 N4 S2 -","- C13.5 H24.5 N4 S2 -","- C54 H98 N16 S8 -","4","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.089","0.062","","0.178","","0.088","","","3.24","","","3.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505193","16.975","0.002","16.975","0.002","17.007","0.002","90","","90","","90","","4900.6","1","296","","296","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H36 N4 S2 -","- C19.5 H32.5 N4 S2 -","- C156 H260 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.107","0.078","","0.149","","0.072","","","1.84","","","2.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505194","17.47","0.003","9.6949","0.0015","9.5174","0.0014","90","","90.275","0.003","90","","1611.9","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 S2 -","- C14 H22 N4 S2 -","- C56 H88 N16 S8 -","4","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.0496","0.0381","","","0.1095","0.1273","","","","","","0.9","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505195","16.755","0.002","16.755","0.002","18.559","0.003","90","","90","","90","","5210.1","1.2","296","","296","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H38 N4 S2 -","- C20.5 H37.5 N4 S2 -","- C164 H300 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.074","0.069","","0.143","","0.079","","","1.75","","","2.66","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505196","17.571","0.006","10.062","0.004","9.506","0.003","90","","91.699","0.006","90","","1679.9","1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N4 S2 -","- C15 H24 N4 S2 -","- C60 H96 N16 S8 -","4","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.1387","0.1243","","","0.3291","0.3391","","","","","","1.914","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505197","16.854","0.003","16.854","0.003","18.943","0.004","90","","90","","90","","5380.9","1.8","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C23 H40 N4 S2 -","- C21 H34 N4 S2 -","- C168 H272 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.141","0.085","","","0.2348","0.2567","","","","","","1.283","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505198","43.78","0.005","9.814","0.005","18.682","0.002","90","","108.49","0.01","90","","7612","4","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 N4 S2 -","- C16 H26 N4 S2 -","- C256 H416 N64 S32 -","16","2","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.137","0.07","","0.122","","0.055","","","1.11","","","1.36","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505199","18.535","0.003","9.878","0.001","25.659","0.004","90","","110.15","0.01","90","","4410.3","1.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H30 N4 S2 -","- C19 H26 N4 S2 -","- C152 H208 N32 S16 -","8","2","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.154","0.098","","0.188","","0.097","","","2.36","","","3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505200","13.1508","0.0014","15.054","0.0013","25.211","0.002","86.298","0.008","80.032","0.008","68.092","0.008","4560.7","0.8","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H34 N4 S2 -","- C19.875 H23.25 N4 S2 -","- C159 H186 N32 S16 -","8","4","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.157","0.093","","0.215","","0.107","","","2.66","","","3.35","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505201","16.699","0.004","16.693","0.006","18.989","0.004","90","","90","","90","","5293","3","273","","273","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H38 N4 S2 -","- C20.5 H37.5 N4 S2 -","- C164 H300 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.184","0.116","","0.152","","0.071","","","1.19","","","1.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505202","16.705","0.004","16.705","0.004","19.205","0.007","90","","90","","90","","5359","3","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H42 N4 S2 -","- C24.2 H33 N4 S2 -","- C193.6 H264 N32 S16 -","8","0.5","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.1536","0.1102","","","0.2229","0.2406","","","","","","1.243","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505203","11.4624","0.0008","9.5205","0.0006","20.8472","0.0017","90","","103.046","0.007","90","","2216.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N2 O6 -","- C24 H24 Mn N2 O6 -","- C96 H96 Mn4 N8 O24 -","4","1","","Dobrzyńska, Danuta; Jerzykiewicz, Lucjan B.; Jezierska, Julia; Duczmal, Marek","Crystal Structure and Characterization of Manganese(II) Carboxylates: 3D Metal−Organic Frameworks","Crystal Growth & Design","2005","5","5","1945","","10.1021/cg050169u","","","0.71073","MoKα","","0.063","0.0404","","","0.0748","0.0827","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505204","11.5301","0.0016","11.5301","0.0016","11.5301","0.0016","90","","90","","90","","1532.8","0.4","203","2","203","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C10 H24 Cl N3 -","- C10 H24 Cl N3 -","- C40 H96 Cl4 N12 -","4","0.333333","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.0813","0.0658","","","0.1772","0.1983","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505205","9.6903","0.0012","9.6903","0.0012","34.257","0.006","90","","90","","90","","3216.8","0.8","203","2","203","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H26 Br N3 O -","- C10 H26 Br N3 O -","- C80 H208 Br8 N24 O8 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1457","0.0585","","","0.0764","0.0922","","","","","","1.026","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505206","7.991","0.004","18.379","0.009","11.456","0.006","90","","91.82","0.03","90","","1681.7","1.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Br N3 -","- C15 H26 Br N3 -","- C60 H104 Br4 N12 -","4","1","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1318","0.0587","","","0.0718","0.0838","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505207","11.978","0.002","37.836","0.006","14.948","0.003","90","","90","","90","","6774","2","203","2","203","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C15 H26 Cl N3 -","- C15 H26 Cl N3 -","- C240 H416 Cl16 N48 -","16","","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.1401","0.068","","","0.1612","0.1952","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505208","9.3242","0.0001","11.1757","0.0002","14.5623","0.0002","90","","96.671","0.001","90","","1507.18","0.04","223","2","223","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Ag Cl O4 S2 -","- C13 H12 Ag Cl O4 S2 -","- C52 H48 Ag4 Cl4 O16 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0347","0.0323","","","0.0847","0.0862","","","","","","1.006","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505209","9.2281","0.0001","11.2482","0.0001","14.3353","0.0001","90","","95.738","0.001","90","","1480.54","0.02","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Ag B F4 S2 -","- C13 H12 Ag B F4 S2 -","- C52 H48 Ag4 B4 F16 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0376","0.0319","","","0.0765","0.0787","","","","","","0.975","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505210","4.9373","0.0001","19.9552","0.0005","16.2439","0.0004","90","","90.882","0.002","90","","1600.24","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag F3 O2 S2 -","- C15 H12 Ag F3 O2 S2 -","- C60 H48 Ag4 F12 O8 S8 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0904","0.0577","","","0.136","0.1476","","","","","","0.986","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505211","8.953","0.002","19.407","0.002","10.506","0.002","90","","110","0.02","90","","1715.3","0.6","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag F3 O3 S3 -","- C14 H12 Ag F3 O3 S3 -","- C56 H48 Ag4 F12 O12 S12 -","4","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.077","0.0504","","","0.1223","0.1302","","","","","","0.877","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505212","12.526","0.002","12.905","0.002","13.186","0.002","109.48","0.02","109.36","0.02","100.79","0.02","1786.5","0.7","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C28 H24 Ag2 F6 O6 S6 -","- C28.002 H24 Ag2 F6 O6 S6 -","- C56.004 H48 Ag4 F12 O12 S12 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0561","0.048","","","0.1313","0.1364","","","","","","1.017","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505213","6.9224","0.0001","11.1849","0.0002","12.859","0.0002","87.831","0.001","84.059","0.001","76.027","0.001","960.89","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C17 H12 Ag F7 O2 S2 -","- C17 H12 Ag F7 O2 S2 -","- C34 H24 Ag2 F14 O4 S4 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0317","0.0311","","","0.0853","0.0859","","","","","","1.056","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505214","10.9903","0.0002","11.3039","0.0002","13.0694","0.0002","99.339","0.001","90.383","0.001","99.491","0.001","1579.27","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C30 H24 Ag2 F4 O4 S4 -","- C30 H24 Ag2 F4 O4 S4 -","- C60 H48 Ag4 F8 O8 S8 -","2","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0369","0.0317","","","0.0792","0.0839","","","","","","0.947","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505215","10.0741","0.0002","12.2003","0.0002","4.63","0.0001","90","","90","","90","","569.06","0.019","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 2","P 2 2ab","18","","","","- C13 H12 S2 -","- C13 H12 S2 -","- C26 H24 S4 -","2","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞ of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-","Crystal Growth & Design","2005","5","5","1897","","10.1021/cg050180u","","","1.54178","CuKα","","0.0328","0.0314","","","0.0852","0.0864","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505216","14.6317","0.0002","14.6317","0.0002","15.875","0.0006","90","","90","","90","","3398.63","0.14","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H44 Cl2 Cu O12 S4 -","- C20 H44 Cl2 Cu O12 S4 -","- C80 H176 Cl8 Cu4 O48 S16 -","4","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Ribas, Joan","Flexible Disulfoxides as Bridging Ligands for Copper(II) Coordination Architectures: Fine Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2005","5","5","1919","","10.1021/cg050181m","","","0.71073","MoKα","","0.1034","0.0598","","","0.1482","0.1807","","","","","","1.091","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505217","11.844","0.004","11.924","0.004","27.91","0.009","94.575","0.005","99.754","0.005","90.059","0.005","3872","2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H194 Cl14 Cu4 O48 S16 -","- C89 H184 Cl14 Cu4 O48 S16 -","- C89 H184 Cl14 Cu4 O48 S16 -","1","0.5","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Ribas, Joan","Flexible Disulfoxides as Bridging Ligands for Copper(II) Coordination Architectures: Fine Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2005","5","5","1919","","10.1021/cg050181m","","","0.71073","MoKα","","0.2334","0.0811","","","0.133","0.1572","","","","","","0.719","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505218","8.7482","0.0009","9.081","0.0007","20.5411","0.0018","92.143","0.007","93.011","0.008","94.315","0.007","1623.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N12 Ni O4 -","- C34 H26 N12 Ni O4 -","- C68 H52 N24 Ni2 O8 -","2","1","","Nayak, Malabika; Koner, Rajesh; Stoeckli-Evans, Helen; Mohanta, Sasankasekhar","Hydrogen-Bonded One-Dimensional Zigzag Pairs and Helical Dimers in an Enolic 4-Terpyridone Based Nickel(II) Dicyanamide Supramolecule","Crystal Growth & Design","2005","5","5","1907","","10.1021/cg050182e","","","0.71073","MoKα","","0.0677","0.0394","","","0.0756","0.081","","","","","","0.885","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505219","8.5398","0.0006","10.75","0.0009","18.1077","0.0011","90","","90","","90","","1662.3","0.2","153","2","153","2","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Mo3 N2 O14 S -","- C5 H16 Mo3 N2 O14 S -","- C20 H64 Mo12 N8 O56 S4 -","4","1","","Muller, Eric A.; Cannon, Robert J.; Sarjeant, Amy Narducci; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates","Crystal Growth & Design","2005","5","5","1913","","10.1021/cg050184z","","","0.7107","MoKα","","0.0482","0.0231","","0.0527","0.0524","0.0524","","","","","","0.8768","","","","has coordinates","176467","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",""
"4505221","20.735","0.005","9.323","0.003","20.978","0.005","90","","95.8","0.04","90","","4034.5","1.9","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Cu Mo0.5 N8 O3 -","- C14 H30 Cu Mo0.5 N8 O3 -","- C112 H240 Cu8 Mo4 N64 O24 -","8","1","","Mukhopadhyay, Uday; Bernal, Ivan","Self-Assembled Hexameric Water Clusters Stabilized by a Cyano-Bridged Trimetallic Complex","Crystal Growth & Design","2005","5","5","1687","","10.1021/cg0501940","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.062","0.0673","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505222","19.27","0.003","19.906","0.003","25.249","0.003","90","","90","","90","","9685","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2:3 co-crystal Form I of Trimesic acid and 1,2-bis(4-pyridyl)ethane","2:3 co-crystal Form I of Benzene-1,3,5-tricarboxylic acid and 1,2-bis(4-pyridyl)ethane","","- C54 H48 N6 O12 -","- C54 H48 N6 O12 -","- C432 H384 N48 O96 -","8","1","","Shattock, Tanise R.; Vishweshwar, Peddy; Wang, Zhenqiang; Zaworotko, Michael J.","18-Fold Interpenetration and Concomitant Polymorphism in the 2:3 Co-Crystal of Trimesic Acid and 1,2-Bis(4-pyridyl)ethane†","Crystal Growth & Design","2005","5","6","2046","","10.1021/cg0501985","","","0.71073","MoKα","","0.0915","0.0557","","","0.1262","0.1548","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505223","10.344","0.002","12.313","0.002","18.914","0.004","90","","94.309","0.004","90","","2402.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2:3 co-crystal Form II of Trimesic acid and 1,2-bis(4-pyridyl)ethane","2:3 co-crystal Form II of Benzene-1,3,5-tricarboxylic acid and 1,2-bis(4-pyridyl)ethane","","- C54 H48 N6 O12 -","- C54 H48 N6 O12 -","- C108 H96 N12 O24 -","2","0.5","","Shattock, Tanise R.; Vishweshwar, Peddy; Wang, Zhenqiang; Zaworotko, Michael J.","18-Fold Interpenetration and Concomitant Polymorphism in the 2:3 Co-Crystal of Trimesic Acid and 1,2-Bis(4-pyridyl)ethane†","Crystal Growth & Design","2005","5","6","2046","","10.1021/cg0501985","","","0.71073","MoKα","","0.135","0.0626","","","0.1241","0.1484","","","","","","0.906","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505224","17.576","0.003","4.9526","0.0009","22.989","0.004","90","","97.321","0.004","90","","1984.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C80 H64 N16 O24 -","4","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.0888","0.048","","","0.117","0.1315","","","","","","0.82","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505225","4.928","0.002","10.098","0.004","19.901","0.008","90","","95.029","0.009","90","","986.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.2995","0.0635","","","0.1244","0.1803","","","","","","1.348","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505226","5.0624","0.0016","10.196","0.004","10.958","0.004","105.163","0.01","100.651","0.006","97.373","0.006","527.1","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.1607","0.0802","","","0.1421","0.1862","","","","","","1.169","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505227","5.2321","0.0008","7.773","0.0012","14.009","0.002","88.809","0.003","79.727","0.003","72.899","0.003","535.51","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","- C22 H20 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.0741","0.062","","","0.1693","0.1946","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505228","5.1373","0.0007","5.1989","0.0008","23.223","0.003","86.042","0.003","88.088","0.003","86.449","0.003","617.32","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.0926","0.0611","","","0.1561","0.1894","","","","","","0.95","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505229","5.1801","0.001","5.2099","0.001","23.409","0.005","88.219","0.006","85.486","0.004","88.992","0.005","629.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.1564","0.0654","","","0.1609","0.2468","","","","","","0.867","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505230","5.215","0.002","6.86","0.003","18.858","0.007","84.79","0.007","89.247","0.007","80.962","0.007","663.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.1266","0.0627","","","0.1479","0.1951","","","","","","0.885","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505231","5.2263","0.001","6.9022","0.0013","19.145","0.004","94.246","0.004","90.234","0.004","100.533","0.004","677","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","- C28 H32 N4 O6 -","1","0.5","","Curtis, Sean M.; Le, Nam; Fowler, Frank W.; Lauher, Joseph W.","A Rational Approach to the Preparation ofPolydipyridyldiacetylenes: An Exercise in Crystal Design","Crystal Growth & Design","2005","5","6","2313","","10.1021/cg050204x","","","0.71073","MoKα","","0.202","0.0629","","","0.1771","0.2082","","","","","","1.163","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505232","12.8498","0.0014","9.0701","0.001","19.779","0.002","90","","100.132","0.002","90","","2269.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cu N O3 S2 -","- C21 H24 Cu N O3 S2 -","- C84 H96 Cu4 N4 O12 S8 -","4","1","","Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Kim, Jineun; Choi, Kyu Seong; Jung, Ok-Sang; Lee, Shim Sung","Two-Dimensional Square-Grid versus One-Dimensional Double-Stranded Networks: Counterion Regulation of the Formation of Macrocycle-Based Copper(I) Coordination Frameworks","Crystal Growth & Design","2005","5","5","1707","","10.1021/cg050220u","","","0.71073","MoKα","","0.1513","0.0658","","","0.1613","0.2035","","","","","","0.953","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505233","9.9125","0.0019","10.2339","0.0019","13.055","0.002","102.88","0.004","102.706","0.004","94.705","0.003","1247.4","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H27 Cu I N O3 S2 -","- C22 H27 Cu I N O3 S2 -","- C44 H54 Cu2 I2 N2 O6 S4 -","2","1","","Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Kim, Jineun; Choi, Kyu Seong; Jung, Ok-Sang; Lee, Shim Sung","Two-Dimensional Square-Grid versus One-Dimensional Double-Stranded Networks: Counterion Regulation of the Formation of Macrocycle-Based Copper(I) Coordination Frameworks","Crystal Growth & Design","2005","5","5","1707","","10.1021/cg050220u","","","0.71073","MoKα","","0.2139","0.0759","","","0.1805","0.26","","","","","","0.988","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505234","7.5099","0.0007","9.1405","0.0011","10.2177","0.0013","72.744","0.003","72.976","0.003","74.679","0.005","628.27","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Cis-DPDSB","Cis,cis-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C34 H26 -","1","0.5","","Xie, Zengqi; Liu, Linlin; Yang, Bing; Yang, Guangdi; Ye, Ling; Li, Min; Ma, Yuguang","Polymorphism of 2,5-Diphenyl-1,4-distyrylbenzene with Two cis Double Bonds: The Essential Role of Aromatic CH/π Hydrogen Bonds","Crystal Growth & Design","2005","5","5","1959","","10.1021/cg0502441","","x-ray","0.71073","MoKα","","0.0731","0.0506","","","0.1508","0.1679","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505235","5.4867","0.0011","12.864","0.003","17.893","0.004","97.67","0.03","90.92","0.03","96","0.03","1244.2","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Xie, Zengqi; Liu, Linlin; Yang, Bing; Yang, Guangdi; Ye, Ling; Li, Min; Ma, Yuguang","Polymorphism of 2,5-Diphenyl-1,4-distyrylbenzene with Two cis Double Bonds: The Essential Role of Aromatic CH/π Hydrogen Bonds","Crystal Growth & Design","2005","5","5","1959","","10.1021/cg0502441","","","0.71073","MoKα","","0.2091","0.0646","","","0.0887","0.1086","","","","","","0.971","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505236","17.562","0.003","17.562","0.003","26.71","0.005","90","","90","","120","","7134","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H106 N6 Ni2 O37 -","- C78 H60 N6 Ni2 O36.96 -","- C234 H180 N18 Ni6 O110.88 -","3","0.166667","","Sun, Yan-Qiong; Zhang, Jie; Ju, Zhan-Feng; Yang, Guo-Yu","Two-Dimensional Noninterpenetrating Transition Metal Coordination Polymers with Large Honeycomb-like Hexagonal Cavities Constructed from a Carboxybenzyl Viologen Ligand","Crystal Growth & Design","2005","5","5","1939","","10.1021/cg050249y","","","0.71073","MoKα","","0.0806","0.0769","","","0.2152","0.2205","","","","","","1.089","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505237","17.7161","0.0008","17.7161","0.0008","26.869","0.003","90","","90","","120","","7303.3","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H106 Co2 N6 O37 -","- C78 H60 Co2 N6 O36.96 -","- C234 H180 Co6 N18 O110.88 -","3","0.166667","","Sun, Yan-Qiong; Zhang, Jie; Ju, Zhan-Feng; Yang, Guo-Yu","Two-Dimensional Noninterpenetrating Transition Metal Coordination Polymers with Large Honeycomb-like Hexagonal Cavities Constructed from a Carboxybenzyl Viologen Ligand","Crystal Growth & Design","2005","5","5","1939","","10.1021/cg050249y","","","0.71073","MoKα","","0.0864","0.0773","","","0.2062","0.2159","","","","","","1.129","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505238","15.2821","0.0017","21.417","0.002","9.215","0.001","90","","104.901","0.002","90","","2914.6","0.5","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H50 N8 O28 P6 Zn4 -","- C48 H32 N8 O28 P6 Zn4 -","- C96 H64 N16 O56 P12 Zn8 -","2","0.25","","Venegas-Yazigi, D.; Cubillos, M.; Le Fur, E.; Pivan, J. Y.; Garland, M. T.; Baggio, R.; Spodine, E.","Organo-Inorganic Tetrameric Zinc Cluster with Phosphate Bridges. [Zn4(HPO4)4(phen)4](H3PO4)2(H2O)4","Crystal Growth & Design","2005","5","5","1695","","10.1021/cg0502690","","","0.71073","MoKα","","0.0582","0.0522","","","0.1345","0.1389","","","","","","1.108","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505239","6.2323","0.0009","33.014","0.005","6.4077","0.0009","90","","115.897","0.002","90","","1186","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","myo-inositol 1,3,5-orthobenzoate","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Bhosekar, Gaurav; Murali, Chebrolu; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Identical Molecular Strings Woven Differently by Intermolecular Interactions in Dimorphs ofmyo-Inositol 1,3,5-Orthobenzoate","Crystal Growth & Design","2005","5","5","1977","","10.1021/cg050272j","","","0.71073","MoKα","","0.0465","0.0435","","","0.1029","0.1048","","","","","","1.147","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505240","17.08","0.004","6.3196","0.0014","11.361","0.003","90","","108.087","0.004","90","","1165.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","myo-inositol 1,3,5-orthobenzoate","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Bhosekar, Gaurav; Murali, Chebrolu; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Identical Molecular Strings Woven Differently by Intermolecular Interactions in Dimorphs ofmyo-Inositol 1,3,5-Orthobenzoate","Crystal Growth & Design","2005","5","5","1977","","10.1021/cg050272j","","","0.71073","MoKα","","0.04","0.0343","","","0.0921","0.0958","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505241","14.544","0.003","28.47","0.006","10.646","0.002","89.78","0.03","126.43","0.04","89.98","0.03","3547","2","90","2","90","2","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0361","0.0285","","","0.0689","0.0731","","","","","","1.011","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505242","14.73","0.003","28.329","0.006","10.786","0.003","89.95","0.03","126.05","0.04","90.05","0.03","3639","2","294","2","294","2","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1099","0.0458","","","0.0955","0.1143","","","","","","0.948","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505243","14.647","0.003","14.127","0.003","25.823","0.005","90","","96.22","0.03","90","","5311.8","1.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C120 H288 Mn12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1595","0.0505","","","0.0959","0.1264","","","","","","0.929","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505244","14.728","0.002","14.154","0.002","26.168","0.003","90","","96.44","0.01","90","","5420.6","1.2","267","2","267","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C120 H288 Mn12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1195","0.0392","","","0.0921","0.1227","","","","","","0.91","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505245","11.355","0.002","11.355","0.002","27.183","0.005","90","","90","","90","","3504.9","1.1","90","2","90","2","","","","","","","","5","P 43","P 4cw","78","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","2","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0535","0.0361","","","0.0706","0.0755","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505246","11.482","0.002","11.482","0.002","27.424","0.006","90","","90","","90","","3615.5","1.2","294","2","294","2","","","","","","","","5","P 43","P 4cw","78","","diaqua(15-crown-5)manganese(II) nitrate","","- C10 H24 Mn N2 O13 -","- C10 H24 Mn N2 O13 -","- C80 H192 Mn8 N16 O104 -","8","2","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1209","0.0466","","","0.0819","0.1011","","","","","","0.947","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505247","14.521","0.001","14.229","0.001","68.443","0.003","90","","96.26","0.01","90","","14057.3","1.5","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","diaqua(15-crown-5)iron(II) nitrate","","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C320 H768 Fe32 N64 O416 -","32","","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.1222","0.0462","","","0.1075","0.134","","","","","","1.016","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505248","14.541","0.001","14.191","0.001","25.647","0.003","90","","96.21","0.01","90","","5261.2","0.8","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)iron(II) nitrate","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C120 H288 Fe12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0643","0.0345","","","0.0861","0.0982","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505249","14.664","0.002","14.192","0.002","25.991","0.003","90","","96.23","0.01","90","","5377.1","1.2","263","2","263","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaqua(15-crown-5)iron(II) nitrate","","- C10 H24 Fe N2 O13 -","- C10 H24 Fe N2 O13 -","- C120 H288 Fe12 N24 O156 -","12","3","","Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt","[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†","Crystal Growth & Design","2005","5","6","2225","","10.1021/cg050312j","","","0.71073","MoKα","","0.0985","0.0385","","","0.0958","0.1213","","","","","","0.968","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505250","8.179","0.005","15.831","0.003","16.908","0.007","90","","101.67","0.04","90","","2144","1.7","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methoxynitrospiropyran 1b","3',3'-dimethyl-6-methoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran-2,2'-indoline","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","","Vary, Michael W.; McBride, J. Michael","Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†","Crystal Growth & Design","2005","5","6","2036","","10.1021/cg0503907","","","0.7107","MoKα","","","0.063","","","","0.058","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505251","8.26","0.003","17.21","0.005","8.341","0.004","90","","105.36","0.04","90","","1143.4","0.8","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","ethoxynitrospiropyran 1b","3',3'-dimethyl-6-Ethoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran-2,2'-indoline","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","1","","Vary, Michael W.; McBride, J. Michael","Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†","Crystal Growth & Design","2005","5","6","2036","","10.1021/cg0503907","","","0.7107","MoKα","","","0.046","","","","0.06","","","","","","","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505252","8.474","0.003","10.496","0.001","14.552","0.004","76.89","0.02","86.59","0.03","82.58","0.02","1249.4","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","Methylmethoxynitrospiropyran_Benzene_Solvate","3,3',3'-trimethyl-6-methoxy-8-nitro-1'-phenylspiro[2H-1-benzopyran -2,2'-indoline benzene solvate","","- C29 H27 N2 O4 -","- C29 H27 N2 O4 -","- C58 H54 N4 O8 -","2","1","","Vary, Michael W.; McBride, J. Michael","Using Spiropyran Fragment Superposition To Assign the EPR Spectrum of Localized Triplet Excitation on a Distorted Aromatic Nitro Group†","Crystal Growth & Design","2005","5","6","2036","","10.1021/cg0503907","","","0.7107","MoKα","","","0.049","","","","0.06","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505253","33.167","0.007","9.954","0.002","14.988","0.003","90","","110.91","0.03","90","","4622.3","1.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 4,4'-bipyridine - 1,2-bis(4-pyridyl)ethane","","- C25 H26 N3 O6 -","- C25 H26 N3 O6 -","- C200 H208 N24 O48 -","8","1","","Bhogala, Balakrishna R.; Basavoju, Srinivas; Nangia, Ashwini","Three-Component Carboxylic Acid−Bipyridine Lattice Inclusion Host. Supramolecular Synthesis of Ternary Cocrystals","Crystal Growth & Design","2005","5","5","1683","","10.1021/cg058012p","","","0.71073","MoKα","","0.1025","0.053","","","0.1122","0.1425","","","","","","1.064","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505254","5.711","0.0004","14.1003","0.001","18.396","0.0013","86.1","0.001","84.56","0.001","82.123","0.001","1458.51","0.18","100","2","373","2","","","","","","","","4","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - p-xylene","","- C32 H37 N3 O6 -","- C32 H37 N3 O6 -","- C64 H74 N6 O12 -","2","1","","Bhogala, Balakrishna R.; Basavoju, Srinivas; Nangia, Ashwini","Three-Component Carboxylic Acid−Bipyridine Lattice Inclusion Host. Supramolecular Synthesis of Ternary Cocrystals","Crystal Growth & Design","2005","5","5","1683","","10.1021/cg058012p","","","0.71073","MoKα","","0.0722","0.0641","","","0.1637","0.1704","","","","","","1.04","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505255","6.1002","0.0012","12.531","0.003","25.138","0.005","90","","93.73","0.03","90","","1917.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl-N-oxy)ethylene - 4,4'-bipyridine","","- C20 H21 N2 O7 -","- C20 H21 N2 O7 -","- C80 H84 N8 O28 -","4","1","","Bhogala, Balakrishna R.; Basavoju, Srinivas; Nangia, Ashwini","Three-Component Carboxylic Acid−Bipyridine Lattice Inclusion Host. Supramolecular Synthesis of Ternary Cocrystals","Crystal Growth & Design","2005","5","5","1683","","10.1021/cg058012p","","","0.71073","MoKα","","0.1171","0.0618","","","0.1488","0.1888","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4507152","3.926","0.002","29.897","0.015","12.602","0.007","90","","96.092","0.009","90","","1470.8","1.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H22 S2 -","- C42 H22 S2 -","- C84 H44 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1002","0.0686","","","0.195","0.2145","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507153","9.453","0.003","23.472","0.008","10.814","0.004","90","","115.077","0.006","90","","2173.2","1.3","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 S2 -","- C54 H46 S2 -","- C108 H92 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1493","0.087","","","0.2171","0.2539","","","","","","1.028","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507154","19.4","0.002","5.059","0.0006","22.602","0.003","90","","102.273","0.003","90","","2167.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 S2 -","- C54 H46 S2 -","- C108 H92 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1272","0.0712","","","0.1535","0.1828","","","","","","1.017","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507155","8.6659","0.0017","13.122","0.003","13.694","0.003","112.96","0.004","93.861","0.004","97.858","0.004","1407.9","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H70 S2 -","- C66 H68 S2 -","- C66 H68 S2 -","1","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.2133","0.0882","","","0.2154","0.2933","","","","","","0.998","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507156","4.582","0.004","5.431","0.005","39.03","0.04","88.589","0.015","87.513","0.015","82.764","0.019","962.4","1.6","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C46 H60 O4 -","2","1","","Tanioku, Chiaki; Matsukawa, Kimihiro; Matsumoto, Akikazu","Thermochromism and Structural Change in Polydiacetylenes Including Carboxy and 4-Carboxyphenyl Groups as the Intermolecular Hydrogen Bond Linkages in the Side Chain","ACS Applied Materials & Interfaces","2013","5","3","940","","10.1021/am302603p","","","0.71075","MoKα","","","0.0596","","","","0.1711","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507440","24.32","0.007","7.613","0.002","6.1826","0.0018","90","","94.301","0.004","90","","1141.5","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","29DPhDNTT","29DPhDNTT","","- C34 H20 S2 -","- C34 H20 S2 -","- C68 H40 S4 -","2","0.5","","Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko","Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.","ACS applied materials & interfaces","2013","5","7","2331","2336","10.1021/am3026163","","","0.71073","MoKα","","0.0642","0.054","","","0.1615","0.1679","","","","","","1.25","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507441","6.9888","0.0003","46.665","0.009","7.18","0.0004","90","","90","","90","","2341.6","0.5","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,10-DPhDNTT","3,10-DPhDNTT","","- C34 H20 S2 -","- C34 H20 S2 -","- C136 H80 S8 -","4","0.5","","Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko","Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.","ACS applied materials & interfaces","2013","5","7","2331","2336","10.1021/am3026163","","","1","synchrotron","","0.0698","0.0594","","","0.1608","0.1651","","","","","","1.338","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507442","5.05464","0.00009","23.4235","0.0004","16.7903","0.0003","90","","90.676","0.006","90","","1987.79","0.06","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 S2 -","- C26 H21 N O2 S2 -","- C104 H84 N4 O8 S8 -","4","1","","Suzuki, Tsuyoshi; Okamoto, Toshihiro; Saeki, Akinori; Seki, Shu; Sato, Hiroyasu; Matsuo, Yutaka","Formation of photoconductive nanowires of tetracene derivative in composite thin film.","ACS applied materials & interfaces","2013","5","6","1937","1942","10.1021/am302914w","","","1.54187","CuKα","","","0.0397","","","","0.1119","","","","","","1.12","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507886","12.6505","0.0015","14.1353","0.0017","19.489","0.002","90","","90","","90","","3485","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 O4 S -","- C19 H15 N3 O4 S -","- C152 H120 N24 O32 S8 -","8","2","","McNeil, S. Keith; Kelley, Steven P.; Beg, Cameran; Cook, Hamilton; Rogers, Robin D.; Nikles, David E.","Cocrystals of 10-Methylphenthiazine and 1,3-Dinitrobenzene: Implications for the Optical Sensing of TNT-Based Explosives.","ACS applied materials & interfaces","2013","5","15","7647","7653","10.1021/am401961s","","","0.71073","MoKα","","0.1101","0.047","","","0.0695","0.0842","","","","","","0.952","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4508357","5.8865","0.0008","7.5079","0.001","14.347","0.002","96.106","0.004","94.285","0.004","90.414","0.004","628.64","0.15","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Mizukami, Makoto; Honda, Kota; Minamiki, Tsukuru; Teraoka, Ryo; Uemura, Taisuke; Tokito, Shizuo","syn-/anti-Anthradithiophene Derivative Isomer Effects on Semiconducting Properties.","ACS applied materials & interfaces","2013","5","19","9670","9677","10.1021/am4027136","","","0.71075","MoKα","","0.1073","0.0981","","","0.2374","0.2423","","","","","","1.253","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508358","5.9155","0.0016","7.772","0.002","13.991","0.004","86.589","0.01","78.271","0.008","86.424","0.009","627.9","0.3","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Mizukami, Makoto; Honda, Kota; Minamiki, Tsukuru; Teraoka, Ryo; Uemura, Taisuke; Tokito, Shizuo","syn-/anti-Anthradithiophene Derivative Isomer Effects on Semiconducting Properties.","ACS applied materials & interfaces","2013","5","19","9670","9677","10.1021/am4027136","","","0.71075","MoKα","","0.0381","0.034","","","0.0947","0.0966","","","","","","1.089","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508392","13.049","0.003","15.994","0.003","17.871","0.004","109.06","0.03","106.02","0.03","92.22","0.03","3354.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H30.5 Cd Cl1.5 N2 O2 S4 -","- C32.5 H30.5 Cd Cl1.5 N2 O2 S4 -","- C130 H122 Cd4 Cl6 N8 O8 S16 -","4","2","","Wu, Yulei; Zhang, Wenjun; Li, Xiaodong; Min, Chao; Jiu, Tonggang; Zhu, Yuejin; Dai, Ning; Fang, Junfeng","Solution-processed hybrid cathode interlayer for inverted organic solar cells.","ACS applied materials & interfaces","2013","5","21","10428","10432","10.1021/am404053e","","","0.71073","MoKα","","0.1067","0.0724","","","0.1956","0.2398","","","","","","1.112","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508613","12.528","0.007","10.051","0.005","19.086","0.01","90","","90","","90","","2403","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 O S2 -","- C14 H8 N2 O S2 -","- C112 H64 N16 O8 S16 -","8","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","","0.1961","0.1544","","","0.3891","0.4355","","","","","","1.704","","","","has coordinates","179622","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",""
"4508615","12.807","0.002","9.9871","0.0018","20.311","0.003","90","","90","","90","","2597.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","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","","0.0955","0.0581","","","0.1545","0.1828","","","","","","1.075","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508616","16.1045","0.0014","12.8052","0.001","6.4559","0.0005","90","","90","","90","","1331.34","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 S Se2 -","- C14 H8 N2 S Se2 -","- C56 H32 N8 S4 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","","0.0577","0.0427","","","0.1146","0.1255","","","","","","0.942","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4510040","10.5477","0.0009","14.464","0.002","14.486","0.002","62.635","0.015","70.78","0.01","86.674","0.009","1841.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H16.5 Cl1.5 N2 O4 -","- C19.5 H16.5 Cl1.5 N2 O4 -","- C78 H66 Cl6 N8 O16 -","4","2","","Konreddy, Ananda Kumar; Toyama, Massaki; Ito, Wataru; Bal, Chandralata; Baba, Masanori; Sharon, Ashoke","Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues.","ACS medicinal chemistry letters","2014","5","3","259","263","10.1021/ml400432f","","","0.71073","MoKα","","0.1015","0.0604","","","0.1502","0.1897","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4511548","7.616","0.0019","19.37","0.005","15.222","0.004","90","","98.312","0.005","90","","2222","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Co N2 O5.5 -","- C26 H17 Co N2 O5.5 -","- C104 H68 Co4 N8 O22 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0975","0.0771","","","0.1775","0.1887","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511549","7.6777","0.0008","19.0226","0.0019","15.2344","0.0015","90","","97.407","0.002","90","","2206.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N2 Ni O5.5 -","- C26 H17 N2 Ni O5.5 -","- C104 H68 N8 Ni4 O22 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0786","0.0592","","","0.1274","0.136","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511550","16.295","0.003","16.093","0.003","20.271","0.004","90","","110.33","0.003","90","","4984.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 Co2 N8 O13 -","- C56 H38 Co2 N8 O13 -","- C224 H152 Co8 N32 O52 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0489","0.0401","","","0.1101","0.116","","","","","","1.034","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511551","16.2122","0.0014","16.0154","0.0014","20.1031","0.0016","90","","110.772","0.002","90","","4880.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 N8 Ni2 O13 -","- C56 H38 N8 Ni2 O13 -","- C224 H152 N32 Ni8 O52 -","4","1","","Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming","Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks","Crystal Growth & Design","2005","5","2","695","","10.1021/cg049834+","","","0.71073","MoKα","","0.0772","0.0559","","","0.1391","0.1503","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511552","6.852","0.001","17.012","0.001","17.31","0.001","90","","90","","90","","2017.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,7-Phenanthroline + water + HCl","","","- C24 H21 Cl N4 O2 -","- C24 H21 Cl N4 O2 -","- C96 H84 Cl4 N16 O8 -","4","1","","Arora, Kapildev K.; Pedireddi, V. R.","Poly(pseudo)rotaxane-like Network Mediated by Hydrogen Bonds in the Solid-State Structure of 1,7-Phenanthroline","Crystal Growth & Design","2005","5","4","1309","","10.1021/cg050038t","","","0.71073","MoKα","","0.0781","0.0491","","","0.1208","0.1335","","","","","","0.995","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511553","8.926","0.002","9.101","0.002","12.193","0.003","72.56","0.01","72.35","0.01","88.1","0.01","898.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,7-Phenanthroline","","","- C24 H16 N4 -","- C24 H16 N4 -","- C48 H32 N8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","Poly(pseudo)rotaxane-like Network Mediated by Hydrogen Bonds in the Solid-State Structure of 1,7-Phenanthroline","Crystal Growth & Design","2005","5","4","1309","","10.1021/cg050038t","","","0.71073","MoKα","","0.0568","0.046","","","0.1059","0.1127","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511554","16.309","0.003","14.636","0.003","13.941","0.004","90","","93.67","0.03","90","","3320.9","1.3","163","2","163","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C22 H25 Ag2 F12 N7 P2 S -","- C22 H25 Ag2 F12 N7 P2 S -","- C88 H100 Ag8 F48 N28 P8 S4 -","4","1","","Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.","Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand","Crystal Growth & Design","2005","5","3","1255","","10.1021/cg050011+","","","0.71073","MoKα","","0.1154","0.1027","","","0.2656","0.2704","","","","","","1.186","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511555","9.9188","0.0002","12.8858","0.0005","11.7449","0.0004","90","","100.646","0.002","90","","1475.3","0.08","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","CBC","","","- C10 H10 Ag F6 N4 P S -","- C10 H10 Ag F6 N4 P S -","- C40 H40 Ag4 F24 N16 P4 S4 -","4","1","","Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.","Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand","Crystal Growth & Design","2005","5","3","1255","","10.1021/cg050011+","","x-ray","0.71073","MoKα","","0.0404","0.0276","","","0.0575","0.062","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511556","10.7108","0.0001","13.2616","0.0002","20.7926","0.0003","90","","92.5034","0.0004","90","","2950.61","0.07","123","2","123","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","JAAGB","","","- C21 H23 Ag2 B2 F8 N9 O2 S2 -","- C21 H23 Ag2 B2 F8 N9 O2 S2 -","- C84 H92 Ag8 B8 F32 N36 O8 S8 -","4","1","","Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.","Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand","Crystal Growth & Design","2005","5","3","1255","","10.1021/cg050011+","","x-ray","0.71073","MoKα","","0.0299","0.0235","","","0.0505","0.0524","","","","","","1.059","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511557","8.767","0.004","12.523","0.006","10.476","0.005","90","","100.963","0.007","90","","1129.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cd N14 O8 -","- C12 H20 Cd N14 O8 -","- C24 H40 Cd2 N28 O16 -","2","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0517","0.0356","","","0.0888","0.0988","","","","","","0.997","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511558","8.661","0.004","12.412","0.005","10.288","0.004","90","","100.717","0.007","90","","1086.7","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N14 O8 Zn -","- C12 H20 N14 O8 Zn -","- C24 H40 N28 O16 Zn2 -","2","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0385","0.0304","","","0.0777","0.0825","","","","","","1.041","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511559","9.631","0.003","9.631","0.003","12.325","0.004","90","","90","","90","","1143.2","0.6","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C6 H8 Cl2 N6 Zn -","- C6 H8 Cl2 N6 Zn -","- C24 H32 Cl8 N24 Zn4 -","4","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0571","0.0493","","","0.162","0.1685","","","","","","1.125","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511560","8.404","0.003","8.618","0.003","10.385","0.003","66.379","0.004","76.161","0.005","77.081","0.004","662.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cd Cl2 N12 O12 -","- C12 H24 Cd Cl2 N12 O12 -","- C12 H24 Cd Cl2 N12 O12 -","1","0.5","","Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng","Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions","Crystal Growth & Design","2005","5","3","1215","","10.1021/cg049587+","","","0.71073","MoKα","","0.0577","0.0518","","","0.1387","0.1451","","","","","","1.11","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511561","7.604","0.008","13.403","0.004","16.366","0.008","109.47","0.03","98.36","0.06","99.17","0.05","1516.8","1.9","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C46 H50 N22 O32 -","2","1","","MacDonald, John C.; Yigit, Mehmet V.; Mychajlonka, Kyle","Two Concomitant Polymorphs of a Supramolecular Model of the Asp···His···Ser Catalytic Triad","Crystal Growth & Design","2005","5","6","2248","","10.1021/cg050092+","","","0.71069","MoKα","","0.1103","0.0778","","","0.2249","0.2537","","","","","","1.056","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511562","33.908","0.007","7.765","0.001","25.389","0.006","90","","114.74","0.02","90","","6071","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C184 H200 N88 O128 -","8","1","","MacDonald, John C.; Yigit, Mehmet V.; Mychajlonka, Kyle","Two Concomitant Polymorphs of a Supramolecular Model of the Asp···His···Ser Catalytic Triad","Crystal Growth & Design","2005","5","6","2248","","10.1021/cg050092+","","","0.71069","MoKα","","0.0735","0.0506","","","0.1322","0.1458","","","","","","1.033","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511563","12.6912","0.0018","13.367","0.003","16.295","0.003","97","0.02","102.73","0.013","117.685","0.015","2305.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Mn2 N5 O16 -","- C50 H43 Mn2 N5 O16 -","- C100 H86 Mn4 N10 O32 -","2","1","","Dobrzyńska, Danuta; Jerzykiewicz, Lucjan B.; Jezierska, Julia; Duczmal, Marek","Crystal Structure and Characterization of Manganese(II) Carboxylates: 3D Metal−Organic Frameworks","Crystal Growth & Design","2005","5","5","1945","","10.1021/cg050169u","","","0.71073","MoKα","","0.0457","0.0354","","","0.0895","0.0968","","","","","","0.849","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511564","11.3931","0.0005","15.4265","0.0007","7.6611","0.0003","90","","106.208","0.001","90","","1292.97","0.1","324","0.1","324","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.0844","0.0457","","","0.1221","0.1402","","","","","","0.894","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511565","11.5668","0.0007","15.3271","0.001","7.6407","0.0005","90","","105.885","0.002","90","","1302.86","0.14","328.9","0.2","329","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.1537","0.0463","","","0.1219","0.1447","","","","","","0.713","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511566","11.386","0.0007","15.422","0.001","7.658","0.0005","90","","106.188","0.002","90","","1291.39","0.14","319.7","0.2","320","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.0841","0.0459","","","0.1211","0.1359","","","","","","0.915","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511567","11.62","0.0002","15.38","0.0005","7.668","0.0003","90","","105.948","0.002","90","","1317.65","0.07","337","2","337","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.1084","0.055","","","0.1413","0.1671","","","","","","0.894","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511568","11.385","0.0007","15.422","0.001","7.659","0.0005","90","","106.176","0.001","90","","1291.52","0.14","316","0.3","316","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(2',4'-dinitrobenzyl)pyridine","","- C12 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","","Naumov, Panče; Sakurai, Kenji","Reversible Thermal Gating of the Photochromic Properties of 3-Methyl-2-(2‘,4‘-dinitrobenzyl)pyridine in a Single Crystal","Crystal Growth & Design","2005","5","5","1699","","10.1021/cg050328+","","","0.71073","MoKα","","0.0616","0.0473","","","0.1241","0.1317","","","","","","0.995","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511569","15.796","0.003","13.704","0.003","24.555","0.004","90","","92.42","0.005","90","","5310.6","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 N12 O16 S2 Zn2 -","- C42 H42 N12 O16 S2 Zn2 -","- C168 H168 N48 O64 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.","Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2005","5","1","37","","10.1021/cg049794+","","","0.71073","MoKα","","0.1816","0.0884","","0.3106","0.2376","","","","1.02","","","","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511570","13.8132","0.0012","11.1759","0.0009","14.4009","0.0012","90","","96.37","0.002","90","","2209.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cd N6 O4 S -","- C21 H21 Cd N6 O4 S -","- C84 H84 Cd4 N24 O16 S4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.","Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2005","5","1","37","","10.1021/cg049794+","","","0.71073","MoKα","","0.0298","0.0234","","0.0633","0.0595","","","","1.041","","","","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511571","10.1323","0.0008","18.6237","0.0015","12.6038","0.001","90","","100.3","0.002","90","","2340","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Cd N6 O6 S -","- C21 H25 Cd N6 O6 S -","- C84 H100 Cd4 N24 O24 S4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.","Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]","Crystal Growth & Design","2005","5","1","37","","10.1021/cg049794+","","","0.71073","MoKα","","0.051","0.0286","","0.0763","0.067","","","","1.069","","","","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511572","8.6613","0.0006","10.5768","0.0008","11.0798","0.0008","81.366","0.001","80.022","0.001","69.272","0.001","930.59","0.12","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cl2 Cu2 N6 O12 -","- C32 H30 Cl2 Cu2 N6 O12 -","- C32 H30 Cl2 Cu2 N6 O12 -","1","0.5","","Marin, Geanina; Tudor, Violeta; Kravtsov, Victor Ch.; Schmidtmann, Marc; Simonov, Yurii A.; Müller, Achim; Andruh, Marius","Extended Structures Constructed from Alkoxo-Bridged Binuclear Complexes as Nodes and Bis(4-pyridyl)ethylene as a Spacer","Crystal Growth & Design","2005","5","1","279","","10.1021/cg049920+","","","0.71073","MoKα","","0.0704","0.0552","","","0.1486","0.1611","","","","","","1.065","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511573","10.238","0.002","11.749","0.002","14.548","0.003","90","","95.35","0.03","90","","1742.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl Cu N3 O5 -","- C14 H16 Cl Cu N3 O5 -","- C56 H64 Cl4 Cu4 N12 O20 -","4","1","","Marin, Geanina; Tudor, Violeta; Kravtsov, Victor Ch.; Schmidtmann, Marc; Simonov, Yurii A.; Müller, Achim; Andruh, Marius","Extended Structures Constructed from Alkoxo-Bridged Binuclear Complexes as Nodes and Bis(4-pyridyl)ethylene as a Spacer","Crystal Growth & Design","2005","5","1","279","","10.1021/cg049920+","","","0.71073","MoKα","","0.0749","0.0366","","","0.08","0.089","","","","","","0.826","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511574","5.6334","0.0005","39.286","0.003","9.6819","0.0006","90","","91.276","0.007","90","","2142.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 N2 O2 S -","- C19 H42 N2 O2 S -","- C76 H168 N8 O8 S4 -","4","1","","Morris, David G.; Ryder, Karl S.; Muir, Kenneth W.","A Model for a Lipid Membrane Stabilized by C−H···X Bonds: The Crystal Structure of the Paraffinic Ylide Trimethylammonion-Hexadecylsulfonamidate CH3(CH2)15SO2N(−)N(+)Me3","Crystal Growth & Design","2005","5","1","361","","10.1021/cg049851z","","","0.71073","MoKα","","0.1743","0.1115","","","0.2968","0.351","","","","","","1.1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511662","15.5024","0.0016","6.2258","0.0008","20.953","0.002","90","","101.598","0.005","90","","1981","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C42 H45 N O13 -","- C42 H45 N O13 -","- C84 H90 N2 O26 -","2","1","","Calosso, Mickael; Tambutet, Guillaume; Charpentier, Daniel; St-Pierre, Gabrielle; Vaillancourt, Marc; Bencheqroun, Mohammed; Gratton, Jean-Philippe; Prévost, Michel; Guindon, Yvan","Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists.","ACS medicinal chemistry letters","2014","5","9","1054","1059","10.1021/ml500266x","","","1.54178","CuKα","","0.1133","0.0774","","","0.1808","0.2021","","","","","","1.141","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511858","20.3663","0.0009","6.5008","0.0003","18.3376","0.0008","90","","104.897","0.002","90","","2346.25","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O5 -","- C30 H22 Cl N O5 -","- C120 H88 Cl4 N4 O20 -","4","1","","Li, Bingbing X.; Xie, Fuchun; Fan, Qiuhua; Barnhart, Kerry M.; Moore, Curtis E.; Rheingold, Arnold L.; Xiao, Xiangshu","Novel Type of Prodrug Activation through a Long-Range O,N-Acyl Transfer: A Case of Water-Soluble CREB Inhibitor.","ACS medicinal chemistry letters","2014","5","10","1104","1109","10.1021/ml500330n","","x-ray","1.54178","CuKα","","0.0354","0.0303","","","0.0754","0.0787","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512454","5.4051","0.0006","35.529","0.004","16.8799","0.0019","90","","99.541","0.008","90","","3196.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","2","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C–H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","1.54178","CuKα","","0.0808","0.063","","","0.1659","0.1835","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512455","5.1067","0.0002","11.928","0.0004","15.558","0.0005","90","","96.711","0.002","90","","941.19","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C–H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","0.71073","MoKα","","0.0505","0.0364","","","0.075","0.0795","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512456","12.878","0.017","15.68","0.02","19.97","0.03","90","","90","","90","","4032","10","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F4 N O4 -","- C22 H19 F4 N O4 -","- C176 H152 F32 N8 O32 -","8","2","","Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M.","Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent","ACS Catalysis","2015","5","1","336","","10.1021/cs501744e","","x-ray","1.54178","CuKα","","0.0238","0.0233","","","0.0603","0.0605","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512457","28.443","0.002","8.4569","0.0007","22.9631","0.0016","90","","107.39","0.009","90","","5271.1","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C176 H220 Cl16 N28 Ni8 O64 P8 -","8","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.0632","0.0574","","","0.1643","0.1696","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512458","8.7289","0.0007","8.7999","0.0007","13.9708","0.0011","93.47","0.007","106.608","0.007","93.681","0.007","1022.76","0.15","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H25 Cl2 N3 Ni O8 S -","- C15 H25 Cl2 N3 Ni O8 S -","- C30 H50 Cl4 N6 Ni2 O16 S2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.0489","0.0473","","","0.1251","0.1263","","","","","","1.034","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512459","8.0156","0.0005","12.2115","0.0008","19.7215","0.0012","91.373","0.005","99.117","0.005","93.388","0.005","1901.6","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C60 H84 Cl8 N12 Ni4 O16 S4 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.071","0.0637","","","0.1661","0.1709","","","","","","1.091","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512460","9.3883","0.0004","13.0308","0.0006","13.093","0.0006","79.943","0.004","89.364","0.004","73.953","0.004","1514.52","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cl2 N3 Ni O9 P -","- C24 H36 Cl2 N3 Ni O9 P -","- C48 H72 Cl4 N6 Ni2 O18 P2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.1195","0.1106","","","0.2796","0.2828","","","","","","1.114","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512489","16.847","0.0003","13.0275","0.0002","16.3223","0.0012","90","","96.25","0.007","90","","3561","0.3","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br Fe N5 -","- C20 H16 Br Fe N5 -","- C160 H128 Br8 Fe8 N40 -","8","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0398","0.039","","","0.1091","0.1097","","","","","","1.099","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512490","8.4756","0.0002","8.8071","0.0003","18.6806","0.0013","99.732","0.007","90.796","0.006","112.598","0.008","1264.06","0.13","85","2","85","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H24 F3 Fe N5 O4 S -","- C25 H24 F3 Fe N5 O4 S -","- C50 H48 F6 Fe2 N10 O8 S2 -","2","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0788","0.0735","","","0.2118","0.2194","","","","","","1.155","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512491","10.7036","0.0002","12.1278","0.0002","12.2733","0.0009","66.351","0.005","73.133","0.005","69.747","0.005","1347.8","0.12","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 F6 Fe N5 O6 S2 -","- C23 H19 F6 Fe N5 O6 S2 -","- C46 H38 F12 Fe2 N10 O12 S4 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0365","0.0362","","","0.0962","0.0965","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512510","12.089","0.0019","9.0476","0.0014","36.982","0.006","90","","91.534","0.002","90","","4043.5","1.1","177","2","177","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 F3 N3 O7 P Re S -","- C39.999 H35.998 Cl1.998 F3 N3 O7 P Re S -","- C159.996 H143.992 Cl7.992 F12 N12 O28 P4 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","0.71073","MoKα","","0.0266","0.0214","","","0.0498","0.0522","","","","","","1.03","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512511","11.209","0.0004","11.6194","0.0004","37.5809","0.0014","90","","90","","90","","4894.6","0.3","183","","183","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H46 F3 N2 O7 P2 Re S -","- C55 H46 F3 N2 O7 P2 Re S -","- C220 H184 F12 N8 O28 P8 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","1.54178","CuKα","","0.0348","0.0329","","","0.0825","0.0843","","","","","","1.059","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512512","17.8016","0.0002","12.0498","0.0002","18.7953","0.0002","90","","117.63","0.001","90","","3571.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Co N3 Si -","- C37 H56 Co N3 Si -","- C148 H224 Co4 N12 Si4 -","4","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54178","CuKα","","0.0282","0.0257","","","0.0625","0.0638","","","","","","1.032","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512513","16.1764","0.0011","9.2233","0.0005","18.8751","0.0012","90","","92.623","0.002","90","","2813.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N2 -","- C31 H45 Co N2 -","- C124 H180 Co4 N8 -","4","0.5","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0809","0.0648","","","0.162","0.1766","","","","","","1.062","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512514","38.978","0.005","10.046","0.005","18.259","0.005","90","0.005","104.3","0.005","90","0.005","6928","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 Co N2 -","- C38 H57 Co N2 -","- C304 H456 Co8 N16 -","8","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0396","0.0327","","","0.0815","0.0856","","","","","","1.053","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512515","11.086","0.005","19.096","0.005","16.774","0.005","90","","94.52","0.005","90","","3540","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Co N3 Si -","- C19 H22 Co N3 Si -","- C152 H176 Co8 N24 Si8 -","8","2","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54184","CuKα","","0.1014","0.0698","","","0.1698","0.1918","","","","","","1.043","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512516","31.103","0.003","31.103","0.003","9.4729","0.0012","90","","90","","120","","7936.3","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H21 Cl Co N2 Si -","- C14 H21 Cl Co N2 Si -","- C252 H378 Cl18 Co18 N36 Si18 -","18","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0431","0.0374","","","0.0901","0.0943","","","","","","1.04","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512529","13.869","0.0002","16.834","0.0002","16.985","0.0002","90","","90","","90","","3965.5","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H40 F4 N3 O P Ru -","- C45 H40 F4 N3 O P Ru -","- C180 H160 F16 N12 O4 P4 Ru4 -","4","1","","McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K.","Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage","ACS Catalysis","2015","5","2","776","","10.1021/cs501644r","","","0.71073","MoKα","","0.0337","0.0279","","","0.061","0.0635","","","","","","1.063","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512584","16.1973","0.0014","9.2551","0.0007","18.251","0.002","90","","90","","90","","2736","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H20 Cl N3 Ni -","- C12 H20 Cl N3 Ni -","- C96 H160 Cl8 N24 Ni8 -","8","2","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.056","0.0367","","","0.0595","0.0651","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512585","9.7694","0.0008","14.6639","0.0017","12.8939","0.0012","90","","100.806","0.007","90","","1814.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 Ni -","- C20 H25 N3 Ni -","- C80 H100 N12 Ni4 -","4","1","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.0868","0.0566","","","0.1115","0.1242","","","","","","1.267","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512586","14.7034","0.0006","15.3502","0.0007","30.5317","0.0013","81.607","0.004","77.192","0.004","79.041","0.004","6558.1","0.5","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C144 H154 B2 Fe3 O13 P8 -","- C144 H134 B2 Fe3 O13 P8 -","- C288 H268 B4 Fe6 O26 P16 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1915","0.0928","","","0.2255","0.286","","","","","","0.988","","","","has coordinates","296814","2024-12-10","08:46:16",""
"4512587","11.3961","0.0004","11.8042","0.0004","14.9611","0.0004","88.014","0.002","81.462","0.002","63.904","0.003","1786.33","0.11","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C42 H44 Fe P4 -","- C42 H44 Fe P4 -","- C84 H88 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.0467","0.0362","","","0.0882","0.0985","","","","","","0.976","","","","has coordinates","296814","2024-12-10","08:46:16",""
"4512588","11.6311","0.0004","12.2422","0.0004","18.0737","0.0003","104.224","0.003","98.681","0.003","106.392","0.003","2325.12","0.14","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C49 H58 B F4 Fe N P4 -","- C49 H46 B F4 Fe N P4 -","- C98 H92 B2 F8 Fe2 N2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1261","0.1003","","","0.272","0.2994","","","","","","1.083","","","","has coordinates,has disorder","296814","2024-12-10","08:46:16",""
"4512589","12.4918","0.0006","13.5351","0.0007","19.2058","0.0009","92.091","0.004","105.612","0.004","94.273","0.004","3113.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H63 B Fe P4 -","- C66 H63 B Fe P4 -","- C132 H126 B2 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71073","MoKα","","0.08","0.0551","","","0.1512","0.1659","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512590","33.6116","0.0014","14.8734","0.0008","20.7957","0.001","90","","105.833","0.004","90","","10001.7","0.9","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H117 B4 F16 Fe2 N7 P8 -","- C103 H114 B4 F16 Fe2 N7 P8 -","- C412 H456 B16 F64 Fe8 N28 P32 -","4","0.5","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71069","MoKα","","0.1202","0.0771","","","0.2044","0.2393","","","","","","1.018","","","","has coordinates","296814","2024-12-10","08:46:16",""
"4512815","9.2602","0.0007","20.7179","0.0014","14.2353","0.0011","90","","97.2","0.002","90","","2709.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(7PPh2NDPM1)2](BF4)2","","","- C58 H58 B2 F8 N2 Ni P4 -","- C58 H58 B2 F8 N2 Ni P4 -","- C116 H116 B4 F16 N4 Ni2 P8 -","2","0.5","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.085","0.0526","","","0.1277","0.1435","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4512816","10.3197","0.0002","13.2465","0.0003","19.7249","0.0005","94.91","0.001","101.046","0.001","109.554","0.001","2460.92","0.1","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C76 H88 B4 Cl8 F28 N4 Ni2 O8 P8 -","2","1","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.1214","0.0725","","","0.1828","0.2114","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4512852","16.9742","0.0009","17.1155","0.0008","50.282","0.003","90","","90","","90","","14608","1.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H81 F12 Fe2 N9 O18 S4 -","- C58 H81 F12 Fe2 N9 O18 S4 -","- C464 H648 F96 Fe16 N72 O144 S32 -","8","2","","Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P.","EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes","ACS Catalysis","2015","5","5","2702","","10.1021/acscatal.5b00169","","x-ray","0.71073","MoKα","","0.0752","0.0644","","","0.1604","0.1657","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:39",""
"4512854","9.4555","0.0015","12.671","0.002","13.141","0.002","89.372","0.007","83.024","0.008","70.301","0.007","1470.6","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 F3 N2 O4 S -","- C31 H27 F3 N2 O4 S -","- C62 H54 F6 N4 O8 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.2602","0.169","","","0.4462","0.4905","","","","","","1.644","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512855","10.6172","0.0005","12.7911","0.0007","14.6372","0.0007","102.793","0.004","106.868","0.003","96.17","0.004","1823.39","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 F3 N2 O3 S -","- C45 H31 F3 N2 O3 S -","- C90 H62 F6 N4 O6 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.1744","0.1189","","","0.3443","0.4055","","","","","","1.337","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512856","12.301","0.005","5.883","0.002","8.098","0.003","90","","95.547","0.008","90","","583.3","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eisad02","","","- C12 H10 N2 Ni S2 -","- C12 H10 N2 Ni S2 -","- C24 H20 N4 Ni2 S4 -","2","0.5","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1129","0.0655","","","0.1376","0.1596","","","","","","1.036","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512857","8.3237","0.0012","11.0567","0.0016","15.928","0.002","92.197","0.003","99.883","0.003","94.145","0.003","1438.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","eisad03","","","- C20 H36 N2 Ni O4 S6 -","- C20 H36 N2 Ni O4 S6 -","- C40 H72 N4 Ni2 O8 S12 -","2","1","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1182","0.0839","","","0.2434","0.2689","","","","","","1.068","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512930","9.8502","0.0008","13.6853","0.0011","16.4912","0.0013","90","","90","","90","","2223.1","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","","Bae, Han Yong; Song, Choong Eui","Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes","ACS Catalysis","2015","5","6","3613","","10.1021/acscatal.5b00685","","","0.71073","MoKα","","0.0985","0.0635","","","0.16","0.1974","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4512945","10.795","0.0002","12.6416","0.0004","14.6957","0.0004","65.979","0.003","89.9734","0.0019","71.994","0.002","1723.83","0.09","110","0.14","110","0.14","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Br Co N2 O2 -","- C36 H52 Br Co N2 O2 -","- C72 H104 Br2 Co2 N4 O4 -","2","2","","North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao","Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling","ACS Catalysis","2015","5","6","3398","","10.1021/acscatal.5b00235","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.081","0.0845","","","","","","1.025","","","","has coordinates,has disorder","154538","2020-10-21","18:00:00",""
"4512946","8.167","0.004","8.306","0.005","10.825","0.006","91.64","0.012","99.308","0.012","92.741","0.011","723.3","0.7","297","1","297","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C32 H24 F6 N2 O4 -","2","1","","Albaladejo, María José; Alonso, Francisco; González-Soria, María José","Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones","ACS Catalysis","2015","5","6","3446","","10.1021/acscatal.5b00417","","","0.71073","MoKα","","0.0805","0.0497","","","0.1452","0.1699","","","","","","1.008","","","","has coordinates,has disorder","301843","2025-08-21","01:58:39",""
"4512947","13.234","0.003","17.661","0.004","20.966","0.004","90","","93.12","0.03","90","","4893","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","1","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0602","0.0401","","","0.0985","0.1096","","","","","","1.081","","","","has coordinates,has disorder","140058","2020-10-21","18:00:00",""
"4512948","16.187","0.003","19.43","0.004","14.641","0.003","90","","90","","90","","4604.8","1.6","120","2","120","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Bi2 Na4 O98.55 W18 Zn6 -","- Bi2 Na4 O98.56 W18 Zn6 -","- Bi4 Na8 O197.12 W36 Zn12 -","2","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0499","0.0423","","","0.1119","0.1153","","","","","","1.063","","","","has coordinates","140058","2020-10-21","18:00:00",""
"4513027","7.2425","0.0008","15.4541","0.0017","17.01","0.0018","90","","90","","90","","1903.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing","Catalytic Asymmetric Formal Aza-Diels–Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles","ACS Catalysis","2015","5","6","3700","","10.1021/acscatal.5b00680","","","0.71073","MoKα","","0.0515","0.0378","","","0.0836","0.0885","","","","","","0.973","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513028","9.4814","0.0008","10.765","0.0009","13.9827","0.0011","111.406","0.002","92.343","0.002","99.301","0.002","1303.49","0.19","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H B Br3 F18 N6 Tl -","- C15 H B Br3 F18 N6 Tl -","- C30 H2 B2 Br6 F36 N12 Tl2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C–H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0451","0.042","","","0.1142","0.1165","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513029","21.9569","0.0012","16.6067","0.001","17.0174","0.0009","90","","105.863","0.002","90","","5968.8","0.6","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H4 B Br3 Cu F18 N7 -","- C17 H4 B Br3 Cu F18 N7 -","- C136 H32 B8 Br24 Cu8 F144 N56 -","8","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C–H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0975","0.0611","","","0.1705","0.1895","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513030","9.5396","0.0011","12.6988","0.0015","12.9452","0.0016","100.867","0.003","94.371","0.003","98.592","0.003","1514","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H9 Ag B Br3 F18 N6 O -","- C19 H9 Ag B Br3 F18 N6 O -","- C38 H18 Ag2 B2 Br6 F36 N12 O2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C–H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0912","0.0626","","","0.1352","0.2075","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513043","8.7507","0.0006","10.3497","0.0005","14.1618","0.0009","79.212","0.004","73.228","0.005","77.234","0.005","1187.17","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N4 O5 Ru S -","- C24 H20 N4 O5 Ru S -","- C48 H40 N8 O10 Ru2 S2 -","2","1","","Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G.","Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex","ACS Catalysis","2015","5","7","3966","","10.1021/acscatal.5b00496","","","0.71073","MoKα","","0.0752","0.0559","","","0.1382","0.1471","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513044","9.25","0.003","10.543","0.003","21.668","0.006","84.919","0.007","89.766","0.007","81.66","0.007","2082.5","1.1","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H57 Cl F N2 O3 P Ru -","- C45 H57 Cl F N2 O3 P Ru -","- C90 H114 Cl2 F2 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.057","","","","0.1536","","","","","","0.9","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513045","9.123","0.004","10.569","0.005","21.751","0.009","94.901","0.012","90.209","0.013","99.166","0.01","2062.6","1.6","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H57 F2 N2 O3 P Ru -","- C45 H57 F2 N2 O3 P Ru -","- C90 H114 F4 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.0601","","","","0.1718","","","","","","0.852","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513186","11.185","0.0012","12.2337","0.0012","15.712","0.0016","87.763","0.002","85.343","0.002","75.988","0.002","2078.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Cl F6 N2 P2 Ru -","- C49 H47 Cl F6 N2 P2 Ru -","- C98 H94 Cl2 F12 N4 P4 Ru2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0814","0.0556","","","0.1081","0.1178","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513187","18.524","0.005","15.304","0.004","14.862","0.004","90","","98.269","0.006","90","","4169.4","1.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H47 Cl F6 N2 P2 Ru -","- C45 H47 Cl F6 N2 P2 Ru -","- C180 H188 Cl4 F24 N8 P8 Ru4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0419","0.0399","","","0.0915","0.0927","","","","","","1.008","","","","has coordinates","140051","2020-10-21","18:00:00",""
"4513215","7.8373","0.0003","11.1807","0.0003","28.7574","0.0008","90","","90","","90","","2519.91","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 B Fe P -","- C32 H28 B Fe P -","- C128 H112 B4 Fe4 P4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.036","0.0316","","0.0368","0.0364","0.0364","","","","","","1.0497","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513216","8.4925","0.0003","18.0565","0.0005","21.7726","0.0007","90","","92.034","0.003","90","","3336.61","0.18","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 N -","- C20 H24.5 N -","- C160 H196 N8 -","8","4","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0984","0.0642","","0.0701","0.0507","0.0468","","","","","","1.1591","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513217","7.6079","0.0004","9.9255","0.0007","10.7036","0.0007","113.746","0.007","100.964","0.005","95.416","0.005","713.05","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H21 N -","- C18 H21 N -","- C36 H42 N2 -","2","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C–H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0678","0.0514","","0.062","0.0602","0.06","","","","","","1.0831","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513218","10.843","0.0004","12.6988","0.0004","15.1797","0.0005","90","","90","","90","","2090.14","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Fe N O -","- C25 H29 Fe N O -","- C100 H116 Fe4 N4 O4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71073","MoKα","","0.036","0.0309","","0.033","0.0324","0.0323","","","","","","1.0256","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513219","14.5165","0.0002","14.5165","0.0002","37.1387","0.001","90","","90","","90","","7826.2","0.3","293","","293","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C43 H38 N O3.5 P Pd S -","- C43 H38 N O3.5 P Pd S -","- C344 H304 N8 O28 P8 Pd8 S8 -","8","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C–H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0649","0.0523","","0.0505","0.0457","0.0442","","","","","","1.0811","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513383","12.3687","0.0005","12.3687","0.0005","44.436","0.002","90","","90","","90","","6798","0.5","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-2A","","","- C72 H78 N4 O11 Ti2 -","- C72 H78 N4 O11 Ti2 -","- C288 H312 N16 O44 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0429","0.0389","","","0.1084","0.1112","","","","","","1.09","","","","has coordinates,has disorder","301843","2025-08-21","01:58:39",""
"4513384","19.0457","0.0003","19.0457","0.0003","41.0671","0.0011","90","","90","","120","","12900.9","0.4","200","2","200","2","","","","","","","","5","P 31 2 1","P 31 2""","152","(R,R,SN-R,R,SN)-Ti-4A","","","- C76 H78 N4 O11 Ti2 -","- C76 H78 N4 O11 Ti2 -","- C456 H468 N24 O66 Ti12 -","6","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1148","0.0641","","","0.1676","0.1808","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513385","11.5315","0.0009","19.176","0.0015","13.4627","0.0011","90","","98.481","0.003","90","","2944.4","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","(/l,R,R,SN-/l,R,R,SN)-1B","","","- C65 H61 Cl3 N4 O6 Ti2 -","- C65 H61 Cl3 N4 O6 Ti2 -","- C130 H122 Cl6 N8 O12 Ti4 -","2","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1222","0.0657","","","0.1565","0.2103","","","","","","1.099","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513386","12.2324","0.0004","12.2324","0.0004","45.9762","0.0016","90","","90","","90","","6879.5","0.4","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-Ti-3A","","","- C68 H66 Br4 N4 O7 Ti2 -","- C68 H66 Br4 N4 O7 Ti2 -","- C272 H264 Br16 N16 O28 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.042","0.0339","","","0.091","0.0934","","","","","","1.089","","","","has coordinates,has disorder","301843","2025-08-21","01:58:39",""
"4513387","13.8302","0.0005","15.4438","0.0005","16.7517","0.0006","108.353","0.001","90.647","0.001","116.089","0.001","3002.56","0.19","200","2","200","2","","","","","","","","6","P 1","P 1","1","(/l,R,R,SN-/l,R,R,SN)-Ti-3B","","","- C64 H56 Br4 N4 O6 Ti2 -","- C64 H56 Br4 N4 O6 Ti2 -","- C128 H112 Br8 N8 O12 Ti4 -","2","2","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0399","0.0314","","","0.086","0.0886","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513439","12.3766","0.0018","16.424","0.002","28.578","0.004","90","","90","","90","","5809.1","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H47 N4 O7 -","- C54 H47 N4 O7 -","- C216 H188 N16 O28 -","4","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.1916","0.082","","","0.1624","0.1748","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513440","10.202","0.004","7.487","0.003","11.933","0.005","90","","100.922","0.007","90","","895","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.0716","0.0363","","","0.0556","0.0618","","","","","","0.966","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513441","40.887","0.002","9.2404","0.0005","27.6197","0.0013","90","","131.709","0.002","90","","7790.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C352 H256 F48 N16 O48 S16 -","16","2","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)–H and C(sp2)–H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.0722","0.044","","","0.1153","0.1494","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513442","6.1068","0.0003","15.2343","0.0008","18.4646","0.001","90","","90","","90","","1717.81","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 B F4 N -","- C21 H16 B F4 N -","- C84 H64 B4 F16 N4 -","4","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)–H and C(sp2)–H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.043","0.0354","","","0.1028","0.1317","","","","","","1.136","","","","has coordinates","301843","2025-08-21","01:58:39",""
"4513443","13.0833","0.0012","9.1095","0.0008","33.015","0.003","90","","91.371","0.002","90","","3933.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F6 N Sb -","- C21 H16 F6 N Sb -","- C168 H128 F48 N8 Sb8 -","8","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.03","0.0257","","","0.0674","0.0788","","","","","","1.202","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513454","15.9607","0.0008","15.9607","0.0008","5.4313","0.0001","90","","90","","90","","1383.59","0.1","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","","Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping","Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines","ACS Catalysis","2015","5","9","5026","","10.1021/acscatal.5b01283","","","0.71073","MoKα","","0.0375","0.0355","","","0.0914","0.0937","","","","","","0.996","","","","has coordinates","301843","2025-08-21","01:58:40",""
"4513487","9.1636","0.0004","36.3601","0.0014","21.4472","0.001","90","","97.684","0.003","90","","7081.8","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Au N3 O2 -","- C38 H46 Au N3 O2 -","- C304 H368 Au8 N24 O16 -","8","2","","Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao","Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand","ACS Catalysis","2015","5","9","5135","","10.1021/acscatal.5b01335","","","0.71075","MoKα","","","0.067","","","","0.14","","","","","","1","","","","has coordinates","160478","2020-10-21","18:00:00",""
"4513497","10.2256","0.0008","13.2327","0.0009","15.2136","0.001","75.791","0.002","82.911","0.002","77.348","0.002","1941.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H14 Cl6 Cu F10 N5 O2 -","- C39 H14 Cl6 Cu F10 N5 O2 -","- C78 H28 Cl12 Cu2 F20 N10 O4 -","2","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0861","0.076","","","0.2091","0.2189","","","","","","1.073","","","","has coordinates,has disorder","301843","2025-08-21","01:58:40",""
"4513498","13.6323","0.0004","13.187","0.0004","21.0645","0.0006","90","","105.96","0.001","90","","3640.78","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0816","0.0683","","","0.2017","0.2133","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513610","8.1602","0.0016","11.357","0.002","20.59","0.004","90","","90","","90","","1908.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0622","0.0502","","","0.1366","0.1478","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513611","6.0364","0.0009","17.033","0.003","10.4225","0.0016","90","","102.271","0.003","90","","1047.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0538","0.0395","","","0.0933","0.1006","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513656","27.301","0.0018","8.7461","0.0005","10.8469","0.0007","90","","96.239","0.007","90","","2574.7","0.3","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels–Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.06","0.0438","","","0.086","0.0966","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513657","12.1813","0.0006","12.9222","0.0005","16.9425","0.0007","90","","90","","90","","2666.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels–Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.0995","0.0553","","","0.1001","0.12","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513663","16.043","0.002","6.7774","0.001","27.121","0.004","90","","94.443","0.003","90","","2940","0.7","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Ag N2 -","- C32 H42 Ag N2 -","- C128 H168 Ag4 N8 -","4","0.5","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.0847","0.0536","","","0.1523","0.1716","","","","","","1.026","","","","has coordinates,has disorder","170774","2020-10-21","18:00:00",""
"4513664","30.342","0.004","14.1754","0.0017","27.882","0.003","90","","98.13","0.002","90","","11872","2","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Ag F2 N3 O3 -","- C32 H40 Ag F2 N3 O3 -","- C512 H640 Ag16 F32 N48 O48 -","16","2","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.1307","0.0561","","","0.1319","0.165","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513677","10.0194","0.0008","14.8755","0.0012","33.308","0.002","90","","90","","90","","4964.3","0.6","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cr N O4 P -","- C25 H28 Cr N O4 P -","- C200 H224 Cr8 N8 O32 P8 -","8","2","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.079","0.0527","","","0.1137","0.1274","","","","","","1.021","","","","has coordinates,has disorder","173567","2020-10-21","18:00:00",""
"4513678","11.79138","0.00014","14.69577","0.00018","16.3394","0.0002","90","","94.4771","0.0011","90","","2822.71","0.06","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cr N O4 P -","- C29 H36 Cr N O4 P -","- C116 H144 Cr4 N4 O16 P4 -","4","1","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.0367","0.031","","","0.0815","0.0853","","","","","","1.032","","","","has coordinates","173567","2020-10-21","18:00:00",""
"4513679","11.77","0.005","16.605","0.005","35.069","0.005","90","0.005","90","0.005","90","0.005","6854","4","290","2","290","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H38 Cl3 N P2 Pd S -","- C32 H38 Cl3 N P2 Pd S -","- C256 H304 Cl24 N8 P16 Pd8 S8 -","8","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0847","0.0505","","","0.1446","0.176","","","","","","1.096","","","","has coordinates","169971","2020-10-21","18:00:00",""
"4513680","12.1032","0.0005","15.8942","0.0005","16.1513","0.0007","90","","106.192","0.004","90","","2983.8","0.2","290","2","290","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H36 Cl N O P2 Pd -","- C31 H36 Cl N O P2 Pd -","- C124 H144 Cl4 N4 O4 P8 Pd4 -","4","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0469","0.0345","","","0.1019","0.1342","","","","","","1.053","","","","has coordinates","169972","2020-10-21","18:00:00",""
"4514605","54.69","0.03","5.385","0.003","17.156","0.009","90","","102.882","0.007","90","","4925","5","120","2","120.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 F3 N4 O3 -","- C27 H27 F3 N4 O3 -","- C216 H216 F24 N32 O24 -","8","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1108","0.0525","","","0.1047","0.1341","","","","","","1","","","","has coordinates,has disorder","219790","2020-10-21","18:00:00",""
"4514606","6.96","0.004","10.566","0.007","14.887","0.009","82.157","0.01","78.009","0.008","88.874","0.008","1060.8","1.1","120","2","120.01","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F3 N2 O2 -","- C25 H21 F3 N2 O2 -","- C50 H42 F6 N4 O4 -","2","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1097","0.0514","","","0.1327","0.1939","","","","","","0.946","","","","has coordinates,has disorder","219791","2020-10-21","18:00:00",""
"4514607","26.469","0.004","6.0807","0.0008","28.774","0.003","90","","90.77","0.009","90","","4630.8","1","296.15","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C96 H100 F12 N8 O17 -","- C96 H100 F12 N8 O17 -","- C192 H200 F24 N16 O34 -","2","0.5","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1143","0.0798","","","0.1964","0.2252","","","","","","1.058","","","","has coordinates,has disorder","219792","2020-10-21","18:00:00",""
"4514608","14.751","0.015","33.72","0.03","8.39","0.008","90","","90","","90","","4173","7","296","2","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H21 F3 N2 O2 -","- C22 H21 F3 N2 O2 -","- C176 H168 F24 N16 O16 -","8","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1173","0.0626","","","0.1177","0.1458","","","","","","1.065","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514609","6.55","0.012","8.043","0.015","16.75","0.03","86.878","0.018","89.257","0.018","87.524","0.018","880","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 F3 N2 O4 -","- C17 H19 F3 N2 O4 -","- C34 H38 F6 N4 O8 -","2","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.108","0.051","","","0.1081","0.1411","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514920","8.5277","0.0001","7.6795","0.0001","13.5715","0.0001","90","","91.593","0.001","90","","888.433","0.017","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Cl5 H24 N9 O2 Ru2 -","- Cl4.5 H24 N9 O2 Ru2 -","- Cl9 H48 N18 O4 Ru4 -","2","0.25","","Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy","A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury.","ACS central science","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.055","0.0547","","","0.1425","0.1427","","","","","","1.066","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"4514921","10.0036","0.0001","10.0036","0.0001","37.9277","0.0003","90","","90","","120","","3287","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H32 Cl5 N9 O Ru2 -","- C8 H32 Cl5 N9 O Ru2 -","- C48 H192 Cl30 N54 O6 Ru12 -","6","0.5","","Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy","A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury.","ACS central science","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.0171","0.0168","","","0.0427","0.043","","","","","","1.07","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"4514922","4.5694","0.0012","11.748","0.003","19.504","0.004","90","","94.147","0.014","90","","1044.3","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H6 I3 N3 Pb -","- C H6 I3 N3 Pb -","- C4 H24 I12 N12 Pb4 -","4","1","","Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song","Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction.","ACS central science","2019","5","8","1377","1386","10.1021/acscentsci.9b00367","","x-ray","0.71073","MoKα","","0.0234","0.0233","","","0.0523","0.0523","","","","","","1.389","","","","has coordinates","220084","2020-10-21","18:00:00",""
"4514923","45.146","0.016","8.814","0.003","8.695","0.003","90","","100.03","0.005","90","","3407","2","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H38 I7 N3 Pb2 -","- C13 H38 I7 N3 Pb2 -","- C52 H152 I28 N12 Pb8 -","4","0.5","","Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song","Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction.","ACS central science","2019","5","8","1377","1386","10.1021/acscentsci.9b00367","","x-ray","0.71073","MoKα","","0.0241","0.0211","","","0.0496","0.0509","","","","","","1.061","","","","has coordinates,has disorder","220085","2020-10-21","18:00:00",""
"4514924","15.4952","0.0004","15.2588","0.0004","27.3371","0.0007","90","","91.4479","0.0012","90","","6461.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2 -","- C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2 -","- C154.04 H184.16 B72 Cl72 O9.96 P8 Pd8 -","4","1","","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","","","0.71073","MoKα","","0.0438","0.0313","","","0.0644","0.0702","","","","","","1.029","","","","has coordinates,has disorder","220086","2020-10-21","18:00:00",""
"4514925","13.05","0.003","12.04","0.002","13.06","0.003","107.57","0.03","91.15","0.03","123.19","0.03","1592.4","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H56 B18 Cl18 O2 P2 Pd2 -","- C44 H56 B18 Cl18 O4 P2 Pd2 -","- C44 H56 B18 Cl18 O4 P2 Pd2 -","1","0.5","","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","","0.2155","0.1822","","","0.3798","0.4004","","","","","","1.929","","","","has coordinates,has disorder","220087","2020-10-21","18:00:00",""
"4514926","10.01","0.002","31.78","0.006","13.34","0.003","90","0.03","90.15","0.03","90","0.03","4243.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(triphenylphosphine)rhodium carbonyl hydride","","- C220 H184 O4 P12 Rh4 -","- C220 H184 O4 P12 Rh4 -","- C220 H184 O4 P12 Rh4 -","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","","0.1604","0.1324","","","0.3182","0.3401","","","","","","1.674","","","","has coordinates","220088","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",""
"4514928","15.52","0.003","13.41","0.003","16.49","0.003","90","0.03","90","0.03","90","0.03","3432","1.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","1","0.125","","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","","","0.2014","0.1607","","","0.3583","0.3941","","","","","","1.826","","","","has coordinates","220090","2020-10-21","18:00:00",""
"4514929","7.21","0.0014","9.2","0.0018","13.84","0.003","90","","90","","90","","918","0.3","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","Schwartz reagent","Bis(cyclopentadienyl)zirconium(IV) chloride hydride","","- C10 H11 Cl Zr -","- C10 H11 Cl Zr -","- C40 H44 Cl4 Zr4 -","4","0.5","","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","","0.1645","0.1495","","","0.3625","0.3785","","","","","","2.254","","","","has coordinates","220091","2020-10-21","18:00:00",""
"4514930","9.68","0.002","25.65","0.005","16.08","0.003","90","0.03","92.63","0.03","90","0.03","3988.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Grubbs catalyst","Benzylidene-bis(tricyclohexylphosphino)-dichlororuthenium","","- C172 H288 Cl8 P8 Ru4 -","- C172 H288 Cl8 P8 Ru4 -","- C172 H288 Cl8 P8 Ru4 -","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","","0.1882","0.1595","","","0.3788","0.3997","","","","","","1.803","","","","has coordinates","220092","2020-10-21","18:00:00",""
"4514931","10.2","0.002","17.04","0.003","19.9","0.004","90","0.03","90","0.03","90","0.03","3458.8","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PdPHOX","","","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","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","","0.1764","0.1432","","","0.3168","0.3504","","","","","","1.301","","","","has coordinates","220093","2020-10-21","18:00:00",""
"4515176","10.1242","0.0006","13.9473","0.0006","35.3927","0.0017","90","","90","","90","","4997.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate","","","- C46 H70 N4 O15 -","- C46 H70 N4 O15 -","- C184 H280 N16 O60 -","4","1","","Pyta, Krystian; Janas, Anna; Skrzypczak, Natalia; Schilf, Wojciech; Wicher, Barbara; Gdaniec, Maria; Bartl, Franz; Przybylski, Piotr","Specific Interactions between Rifamycin Antibiotics and Water Influencing Ability To Overcome Natural Cell Barriers and the Range of Antibacterial Potency.","ACS infectious diseases","2019","5","10","1754","1763","10.1021/acsinfecdis.9b00176","","","0.71073","MoKα","","0.1721","0.0455","","","0.0695","0.095","","","","","","0.827","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515177","14.868","0.002","10.1272","0.0015","31.874","0.004","90","","90.165","0.005","90","","4799.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 N2 O9 Si -","- C53 H62 N2 O9 Si -","- C212 H248 N8 O36 Si4 -","4","2","","Sati, Girish C.; Sarpe, Vikram A.; Furukawa, Takayuki; Mondal, Sujit; Mantovani, Matilde; Hobbie, Sven N.; Vasella, Andrea; Böttger, Erik C; Crich, David","Modification at the 2'-Position of the 4,5-Series of 2-Deoxystreptamine Aminoglycoside Antibiotics To Resist Aminoglycoside Modifying Enzymes and Increase Ribosomal Target Selectivity.","ACS infectious diseases","2019","5","10","1718","1730","10.1021/acsinfecdis.9b00128","","","0.71073","MoKα","","0.0788","0.0495","","","0.0978","0.1122","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4516658","10.073","0.003","10.958","0.003","25.373","0.006","100.784","0.005","100.991","0.005","90.485","0.005","2697.9","1.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O -","- C17 H16 O -","- C136 H128 O8 -","8","4","","Qin, Guiping; Chen, Xiangning; Yang, Lei; Huang, Hanmin","Copper-Catalyzed α-Benzylation of Enones via Radical-Triggered Oxidative Coupling of Two C–H Bonds","ACS Catalysis","2015","5","5","2882","","10.1021/acscatal.5b00310","","","0.71073","MoKα","","0.1306","0.0517","","","0.1051","0.1397","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516659","10.6111","0.0008","9.3941","0.0007","19.1315","0.0015","90","","91.384","0.001","90","","1906.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 F3 N4 O7 -","- C15 H19 F3 N4 O7 -","- C60 H76 F12 N16 O28 -","4","1","","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","","0.0532","0.0424","","","0.1089","0.1169","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:47",""
"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","301843","2025-08-21","01:58:47",""
"4516661","15.5297","0.0005","15.5297","0.0005","24.1564","0.0011","90","","90","","120","","5045.3","0.3","150","","150","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C55 H40 Cl3 O3 P3 Si3 -","- C55 H40 Cl3 O3 P3 Si3 -","- C220 H160 Cl12 O12 P12 Si12 -","4","0.333333","","Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya","Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes","ACS Catalysis","2015","5","12","7254","","10.1021/acscatal.5b00904","","","0.71075","MoKα","","","0.0461","","","","0.1077","","","","","","1.139","","","","has coordinates","239438","2020-10-21","18:00:00",""
"4516662","33.581","0.002","10.1257","0.0002","19.1334","0.0004","90","","101.527","0.007","90","","6374.7","0.5","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl N5 P Ru -","- C38 H31 Cl N5 P Ru -","- C304 H248 Cl8 N40 P8 Ru8 -","8","2","","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","","0.0283","0.028","","","0.0728","0.0731","","","","","","1.04","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516663","31.847","0.002","12.7757","0.0002","25.6211","0.0005","90","","117.055","0.008","90","","9283.7","0.9","85","2","85","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C356 H304 Cl8 F48 N40 O48 P8 Ru8 S16 -","8","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","","0.0518","0.0487","","","0.1415","0.1436","","","","","","1.101","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516664","9.4999","0.0002","10.3978","0.0002","18.4333","0.0013","79.884","0.006","84.512","0.006","68.604","0.005","1667.97","0.14","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H33 F3 N5 O P Ru -","- C40 H33 F3 N5 O P Ru -","- C80 H66 F6 N10 O2 P2 Ru2 -","2","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","","0.0248","0.0242","","","0.0642","0.0647","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516665","11.5459","0.0002","20.4778","0.0004","18.8418","0.0013","90","","104.485","0.007","90","","4313.2","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Cl N5 P2 Ru -","- C54 H42 Cl N5 P2 Ru -","- C216 H168 Cl4 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","","0.0225","0.0223","","","0.0551","0.0552","","","","","","1.039","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516666","11.8598","0.0002","13.6537","0.0003","16.6403","0.0012","89.614","0.006","87.952","0.006","69.915","0.005","2529","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl N5 P2 Ru -","- C56 H46 Cl N5 P2 Ru -","- C112 H92 Cl2 N10 P4 Ru2 -","2","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","","0.0295","0.0289","","","0.0696","0.07","","","","","","1.027","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516667","23.8181","0.0017","11.25","0.0002","20.994","0.002","90","","115.986","0.009","90","","5056.7","0.7","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl N5 O3.5 P2 Ru -","- C60 H54 Cl N5 O3.5 P2 Ru -","- C240 H216 Cl4 N20 O14 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","","0.0763","0.0706","","","0.1914","0.1993","","","","","","1.11","","","","has coordinates,has disorder","239439","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",""
"4516669","13.7897","0.0003","15.8415","0.0003","19.6154","0.0014","71.991","0.005","73.73","0.005","81.086","0.006","3900.9","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H81 N10 P2 Ru2 -","- C97 H81 N10 P2 Ru2 -","- C194 H162 N20 P4 Ru4 -","2","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","","0.1001","0.0869","","","0.2298","0.2419","","","","","","1.103","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516670","9.0716","0.0009","12.721","0.0007","15.6504","0.0017","93.195","0.006","103.235","0.009","93.102","0.002","1751.2","0.3","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl F6 N5 P2 Ru -","- C38 H32 Cl F6 N5 P2 Ru -","- C76 H64 Cl2 F12 N10 P4 Ru2 -","2","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","","0.0231","0.023","","","0.0592","0.0593","","","","","","1.056","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516671","12.5021","0.0003","13.6073","0.0003","19.1227","0.0004","90","","108.373","0.002","90","","3087.32","0.12","123","1","123","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 B Cu F4 N4 O3 P -","- C34 H25 B Cu F4 N4 O3 P -","- C136 H100 B4 Cu4 F16 N16 O12 P4 -","4","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","0.71073","MoKα","","0.0437","0.036","","","0.0852","0.0894","","","","","","1.06","","","","has coordinates,has disorder","239440","2020-10-21","18:00:00",""
"4516672","10.5194","0.0005","11.305","0.0006","12.8486","0.0006","64.026","0.005","86.154","0.004","63.035","0.005","1207.7","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","1","0.5","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54184","CuKα","","0.0293","0.0258","","","0.0644","0.066","","","","","","1.056","","","","has coordinates","239441","2020-10-21","18:00:00",""
"4516673","30.0446","0.0006","11.56203","0.00018","24.6258","0.0004","90","","90","","90","","8554.4","0.3","122.99","0.16","122.99","0.16","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C376 H280 B8 Cl16 Cu8 F32 N32 O24 P8 -","8","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54178","CuKα","","0.0597","0.0461","","","0.1099","0.118","","","","","","1.034","","","","has coordinates,has disorder","239442","2020-10-21","18:00:00",""
"4516674","11.3913","0.0005","26.6073","0.0012","13.8664","0.0007","90","","103.752","0.005","90","","4082.3","0.3","102","1","102","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Fe Li N2 O Si2 -","- C44 H56 Fe Li N2 O Si2 -","- C176 H224 Fe4 Li4 N8 O4 Si8 -","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","","0.0976","0.0703","","","0.1221","0.1311","","","","","","1.144","","","","has coordinates,has disorder","239443","2020-10-21","18:00:00",""
"4516675","14.14","0.0009","13.3999","0.0009","16.5218","0.001","90","","112.094","0.002","90","","2900.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Fe N2 O3 P -","- C35 H33 Fe N2 O3 P -","- C140 H132 Fe4 N8 O12 P4 -","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","","0.0564","0.0387","","","0.122","0.1352","","","","","","1.026","","","","has coordinates","239444","2020-10-21","18:00:00",""
"4516676","16.7305","0.0015","14.4122","0.0007","17.4229","0.0008","90","","93.471","0.006","90","","4193.4","0.5","106.2","0.2","106.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 Fe N2 P -","- C56 H53 Fe N2 P -","- C224 H212 Fe4 N8 P4 -","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","","0.1173","0.0785","","","0.1558","0.1723","","","","","","1.102","","","","has coordinates","239445","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","301843","2025-08-21","01:58:47",""
"4516678","17.2377","0.0005","17.2377","0.0005","27.3182","0.0008","90","","90","","90","","8117.3","0.4","100","","100","","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C368 H416 F24 Fe8 N16 Na4 O28.7 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","1","0.0625","","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","","0.0687","0.0464","","","0.1234","0.1429","","","","","","1.09","","","","has coordinates,has disorder","239447","2020-10-21","18:00:00",""
"4516679","19.5314","0.0005","9.7274","0.0002","13.93","0.0004","90","","99.058","0.002","90","","2613.55","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 Fe N2 -","- C32 H24 Cl2 Fe N2 -","- C128 H96 Cl8 Fe4 N8 -","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","","0.067","0.0367","","","0.0868","0.0982","","","","","","1.057","","","","has coordinates","239448","2020-10-21","18:00:00",""
"4516680","10.8375","0.0013","14.8073","0.0018","27.377","0.003","90","","90","","90","","4393.3","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Fe N2 O4 Ti -","- C46 H64 Fe N2 O4 Ti -","- C184 H256 Fe4 N8 O16 Ti4 -","4","1","","Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K.","Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide","ACS Catalysis","2015","5","10","6057","","10.1021/acscatal.5b01434","","","0.71073","MoKα","","0.0524","0.045","","","0.1217","0.1311","","","","","","0.941","","","","has coordinates","239449","2020-10-21","18:00:00",""
"4516681","6.1162","0.0019","15.02","0.005","17.666","0.006","90","","96.537","0.005","90","","1612.3","0.9","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1,1,2-tetrafluorohepta-2,5-diene","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji","Nickel-Catalyzed Allylic C(sp3)–F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes","ACS Catalysis","2015","5","10","5947","","10.1021/acscatal.5b01463","","","0.71073","MoKα","","0.1027","0.0537","","","0.1001","0.1179","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516682","10.9711","0.0009","7.3155","0.0006","19.9974","0.0017","90","","93.418","0.002","90","","1602.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H30 Cl2 N2 O4 S -","- C35 H30 Cl2 N2 O4 S -","- C70 H60 Cl4 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita–Baylis–Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0424","0.0396","","","0.1058","0.1085","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516683","7.7705","0.001","22.437","0.003","11.0377","0.0015","90","","105.525","0.002","90","","1854.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita–Baylis–Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.066","0.0605","","","0.1514","0.1578","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516684","11.9029","0.001","15.3015","0.0013","19.0001","0.0016","85.692","0.002","79.538","0.002","67.684","0.002","3148.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl2 N2 O4 S -","- C35 H28 Cl2 N2 O4 S -","- C140 H112 Cl8 N8 O16 S4 -","4","2","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita–Baylis–Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.1284","0.0589","","","0.1317","0.1645","","","","","","0.987","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516685","9.3454","0.001","9.7516","0.001","14.35","0.0015","92.675","0.002","101.306","0.002","115.481","0.002","1144.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C48 H52 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita–Baylis–Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0749","0.0546","","","0.1424","0.1563","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516686","10.3652","0.0008","10.371","0.0008","28.86","0.002","90","","90","","90","","3102.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl2 N2 O4 S -","- C34 H28 Cl2 N2 O4 S -","- C136 H112 Cl8 N8 O16 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita–Baylis–Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.079","0.0539","","","0.1246","0.1391","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516687","8.8035","0.0002","14.912","0.0003","17.9438","0.0005","90","","90","","90","","2355.62","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","","Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia","Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters","ACS Catalysis","2015","5","11","6524","","10.1021/acscatal.5b01793","","","1.54178","CuKα","","0.0372","0.0326","","","0.0799","0.087","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516688","15.6832","0.0007","11.3541","0.0005","16.787","0.0007","90","","92.189","0.001","90","","2987.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 N4 Pd2 S4 -","- C66 H68 N4 Pd2 S4 -","- C132 H136 N8 Pd4 S8 -","2","0.5","","Degtyareva, Evgeniya S.; Burykina, Julia V.; Fakhrutdinov, Artem N.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd-NHC Catalytic System for the Efficient Atom-Economic Synthesis of Vinyl Sulfides from Tertiary, Secondary, or Primary Thiols","ACS Catalysis","2015","5","12","7208","","10.1021/acscatal.5b01815","","","0.71073","MoKα","","0.0479","0.0349","","","0.0759","0.0818","","","","","","1.021","","","","has coordinates","239457","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","301843","2025-08-21","01:58:47",""
"4516690","9.6451","0.0002","25.6279","0.0005","10.7472","0.0002","90","","102.565","0.001","90","","2592.91","0.09","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 F3 I O3 S -","- C24 H32 F3 I O3 S -","- C96 H128 F12 I4 O12 S4 -","4","1","","Berzina, Beatrise; Sokolovs, Igors; Suna, Edgars","Copper-Catalyzed para-Selective C–H Amination of Electron-Rich Arenes","ACS Catalysis","2015","5","11","7008","","10.1021/acscatal.5b01992","","","0.71073","MoKα","","0.0798","0.0594","","","0.1303","0.1377","","","","","","1.126","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516691","11.4773","0.0005","13.0681","0.0005","18.2775","0.0008","70.951","0.001","80.767","0.001","78.887","0.001","2528.57","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H32 B F24 N3 Ni O2 -","- C50 H32 B F24 N3 Ni O2 -","- C100 H64 B2 F48 N6 Ni2 O4 -","2","1","","Escobar, Manuel A.; Trofymchuk, Oleksandra S.; Rodriguez, Barbara E.; Lopez-Lira, Claudia; Tapia, Ricardo; Daniliuc, Constantin; Berke, Heinz; Nachtigall, Fabiane M.; Santos, Leonardo S.; Rojas, Rene S.","Lewis Acid Enhanced Ethene Dimerization and Alkene Isomerization—ESI-MS Identification of the Catalytically Active Pyridyldimethoxybenzimidazole Nickel(II) Hydride Species","ACS Catalysis","2015","5","12","7338","","10.1021/acscatal.5b02003","","","0.71073","MoKα","","0.0561","0.0412","","","0.0933","0.101","","","","","","1.029","","","","has coordinates,has disorder","239460","2020-10-21","18:00:00",""
"4516692","11.1326","0.0005","28.0168","0.0014","13.6059","0.0006","90","","96.8149","0.0016","90","","4213.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","1","0.25","","Kim, Hyunwoo; Chang, Sukbok","Iridium-Catalyzed Direct C‒H Amination with Alkylamines: Facile Oxidative Insertion of Amino Group into Iridacycle","ACS Catalysis","2015","5","11","6665","","10.1021/acscatal.5b02165","","","0.71073","MoKα","","0.0728","0.0413","","","0.0939","0.1036","","","","","","1.022","","","","has coordinates,has disorder","239461","2020-10-21","18:00:00",""
"4516693","9.4911","0.0004","9.8015","0.0003","12.0673","0.0005","90","","103.604","0.004","90","","1091.09","0.07","300.79","0.1","300.79","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui","Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst","ACS Catalysis","2015","5","12","7432","","10.1021/acscatal.5b02177","","x-ray","1.54184","CuKα","","0.054","0.0481","","","0.1351","0.1407","","","","","","1.12","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516804","11.359","0.005","21.291","0.01","9.219","0.004","90","0","97.196","0.006","90","0","2212","1.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N2 O5 P -","- C24 H23 N2 O5 P -","- C96 H92 N8 O20 P4 -","4","1","","Mitchell, Lauren A.; Holliday, Bradley J.","Polymeric Materials for the Separation of f-Elements Utilizing Carbamoylmethylphosphine Oxide Chelating Ligands","ACS Macro Letters","2016","5","10","1100","","10.1021/acsmacrolett.6b00596","","","0.71069","MoKα","","0.0744","0.0529","","","0.1248","0.136","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517008","19.0828","0.0012","11.0641","0.0005","21.971","0.0011","90","","99.81","0.005","90","","4571","0.4","173","","173","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C22 H28 Na O9 S -","- C22 H28 Na O9 S -","- C176 H224 Na8 O72 S8 -","8","2","","Miles-Barrett, Daniel M.; Montgomery, James R. D.; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Carr, Reuben; Westwood, Nicholas J.","Use of Bisulfite Processing To Generate High-β-O-4 Content Water-Soluble Lignosulfonates","ACS Sustainable Chemistry & Engineering","2017","5","2","1831","","10.1021/acssuschemeng.6b02566","","","1.54187","CuKα","","0.0699","0.0631","","","0.1738","0.181","","","","","","1.04","","","","has coordinates","289785","2024-02-12","08:29:28",""
"4517009","7.8249","0.0007","22.011","0.002","12.217","0.0011","90","","99.059","0.002","90","","2077.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl2 F N4 O8 -","- C20 H15 Cl2 F N4 O8 -","- C80 H60 Cl8 F4 N16 O32 -","4","1","","Chen, Liang; Huang, Rong; Du, Xuan-Xuan; Yan, Sheng-Jiao; Lin, Jun","One-Pot Synthesis of Highly Functionalized Bicyclic Imidazopyridinium Derivatives in Ethanol","ACS Sustainable Chemistry & Engineering","2017","5","2","1899","","10.1021/acssuschemeng.6b02622","","","0.71073","MoKα","","0.0509","0.0429","","","0.1057","0.111","","","","","","0.982","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517010","7.8228","0.0004","19.98","0.001","17.1179","0.0007","90","","91.087","0.001","90","","2675","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N O4 Zn -","- C28 H16 N O4 Zn -","- C112 H64 N4 O16 Zn4 -","4","1","","Zhao, Hongmei; Xia, Qiansu; Xing, Hongzhu; Chen, Dashu; Wang, Hong","Construction of Pillared-Layer MOF as Efficient Visible-Light Photocatalysts for Aqueous Cr(VI) Reduction and Dye Degradation","ACS Sustainable Chemistry & Engineering","2017","5","5","4449","","10.1021/acssuschemeng.7b00641","","","0.71073","MoKα","","0.0483","0.0313","","","0.0675","0.0762","","","","","","1.069","","","","has coordinates","239692","2020-10-21","18:00:00",""
"4517011","16.376","0.005","5.782","0.002","19.03","0.006","90","","100.86","0.03","90","","1769.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Pigulski, Bartłomiej; Cichos, Jakub; Szafert, Sławomir","Polyynes as Precursors of Photoluminescent Solvent Polarity Probes","ACS Sustainable Chemistry & Engineering","2017","5","8","7077","","10.1021/acssuschemeng.7b01274","","","1.54184","CuKα","","0.2546","0.086","","","0.189","0.2242","","","","","","0.61","","","","has coordinates,has disorder","239693","2020-10-21","18:00:00",""
"4517012","6.7039","0.0012","10.6697","0.0018","22.602","0.004","90","","90","","90","","1616.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H20 N2 O5 S -","- C16 H20 N2 O5 S -","- C64 H80 N8 O20 S4 -","4","0.5","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.1008","0.0648","","","0.1552","0.1754","","","","","","1.024","","","","has coordinates,has disorder","239694","2020-10-21","18:00:00",""
"4517013","10.8743","0.0008","12.9713","0.0009","13.3718","0.001","64.0149","0.0019","71.014","0.002","70.772","0.002","1564","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N5 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","2","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0619","0.0439","","","0.1279","0.1427","","","","","","1.02","","","","has coordinates","239695","2020-10-21","18:00:00",""
"4517014","7.907","0.005","8.536","0.005","11.911","0.005","83.119","0.005","78.561","0.005","83.567","0.005","779.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O4 S -","- C14 H14 Br N3 O4 S -","- C28 H28 Br2 N6 O8 S2 -","2","1","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0495","0.0428","","","0.1456","0.1523","","","","","","1.249","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517015","17.516","0.005","19.233","0.006","23.482","0.007","90","","90","","90","","7911","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Fe I2 N10 -","- C36 H34 Fe I2 N10 -","- C288 H272 Fe8 I16 N80 -","8","1","","Chen, Fei; Liu, Ning; Dai, Bin","Iron(II) Bis-CNN Pincer Complex-Catalyzed Cyclic Carbonate Synthesis at Room Temperature","ACS Sustainable Chemistry & Engineering","2017","5","10","9065","","10.1021/acssuschemeng.7b01990","","","0.71073","MoKα","","0.1288","0.0857","","","0.2502","0.2816","","","","","","0.992","","","","has coordinates","239697","2020-10-21","18:00:00",""
"4517016","12.549","0.007","7.632","0.007","16.158","0.01","90","","109.74","0.05","90","","1456.6","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O4 Zn -","- C13 H9 N2 O4 Zn -","- C52 H36 N8 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0792","0.0601","","","0.1164","0.1493","","","","","","1.019","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517017","14.702","0.004","7.736","0.002","15.973","0.005","90","","107.124","0.007","90","","1736.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O4 Zn -","- C13 H9 N3 O4 Zn -","- C52 H36 N12 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0897","0.0567","","","0.1133","0.1426","","","","","","0.935","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517018","35.331","0.002","7.6491","0.0004","16.0546","0.0008","90","","108.658","0.002","90","","4110.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O4 Zn -","- C14 H10 N2 O4 Zn -","- C112 H80 N16 O32 Zn8 -","8","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0519","0.0354","","","0.0814","0.086","","","","","","0.959","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517019","5.535","0.002","19.583","0.009","11.673","0.005","90","","97.599","0.006","90","","1254.1","0.9","150","2","150","2","","","101.3","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N5 O7 -","- C11 H7 N5 O7 -","- C44 H28 N20 O28 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","x-ray","0.71073","MoKα","","0.1075","0.0755","","","0.116","0.1652","","","","","","0.995","","","","has coordinates,has disorder","239698","2020-10-21","18:00:00",""
"4517020","11.2185","0.0003","13.1576","0.0004","13.44","0.0005","111.204","0.003","93.969","0.003","112.787","0.003","1653.87","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N2 O7 -","- C38 H36 N2 O7 -","- C76 H72 N4 O14 -","2","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0421","0.0351","","","0.0802","0.0847","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517021","7.5802","0.0004","9.6279","0.0006","10.5678","0.0009","69.46","0.007","73.023","0.006","68.198","0.005","658.87","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","1","0.5","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0479","0.0382","","","0.0911","0.0966","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517022","13.9228","0.0005","17.8301","0.0006","16.472","0.0007","90","","111.643","0.005","90","","3800.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 N2 O8 -","- C38 H34 Cl4 N2 O8 -","- C152 H136 Cl16 N8 O32 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1056","0.063","","","0.1514","0.178","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517023","12.4183","0.0008","13.3678","0.0005","8.9785","0.0004","90","","93.613","0.004","90","","1487.52","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1019","0.0632","","","0.1384","0.1596","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517024","13.96","0.003","19.71","0.004","15.38","0.003","90","","116.32","0.003","90","","3793.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 F3 N3 O3 -","- C32 H34 F3 N3 O3 -","- C128 H136 F12 N12 O12 -","4","1","","Wang, Bao-Qu; Luo, Qin; Xiao, Qiang; Lin, Jun; Yan, Sheng-Jiao","Synthesis of Quinone Methide Substituted Neonicotinoid Derivatives via 1,6-Conjugate Addition of N-Benzyl Nitro Ketene Aminals with para-Quinone Methides Accompanying Oxidation","ACS Sustainable Chemistry & Engineering","2017","5","9","8382","","10.1021/acssuschemeng.7b02166","","","0.71073","MoKα","","0.1856","0.1233","","","0.4162","0.4529","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517297","16.66","0.001","15.5656","0.0008","28.2198","0.0016","90","","97.375","0.004","90","","7257.5","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 n 1","P -2yac","7","","","","- C84 H54 Cl2 P2 Pd -","- C84 H54 Cl2 P2 Pd -","- C336 H216 Cl8 P8 Pd4 -","4","2","","Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan","Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex.","ACS omega","2020","5","1","882","892","10.1021/acsomega.9b03830","","","1.54178","CuKα","","0.2117","0.1004","","","0.2611","0.3273","","","","","","0.97","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517306","23.6621","0.0003","23.6621","0.0003","7.5296","0.0002","90","","90","","120","","3650.98","0.12","99.9","0.5","99.9","0.5","","","","","","","","6","P 63/m","-P 6c","176","","","","- C22 H33 N3 O4 S Si -","- C22 H33 N3 O4 S Si -","- C132 H198 N18 O24 S6 Si6 -","6","0.5","","Prybil, Joshua W.; Wallace, Rodney; Warren, Alexandra; Klingman, Jordan; Vaillant, Romane; Hall, Michael B.; Yang, Xin; Brennessel, William W.; Chin, Robert M.","Silylation of Pyridine, Picolines, and Quinoline with a Zinc Catalyst","ACS Omega","2020","5","3","1528","1539","10.1021/acsomega.9b03317","","x-ray","1.54184","CuKα","","0.1383","0.1365","","","0.3691","0.3702","","","","","","1.184","","","","has coordinates,has disorder","257079","2020-10-21","18:00:00",""
"4517307","11.0617","0.0002","24.4886","0.0005","17.3459","0.0004","90","","122.08","0.002","90","","3981.29","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 B2 N4 P2 Ti -","- C41 H50 B2 N4 P2 Ti -","- C164 H200 B8 N16 P8 Ti4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine–Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0535","0.0482","","","0.1342","0.1401","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517308","10.8835","0.001","13.0462","0.0014","26.353","0.002","95.711","0.008","101.515","0.007","101.049","0.008","3561.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B2 Cl0 N2 P2 Zr -","- C40 H40 B2 N2 P2 Zr -","- C160 H160 B8 N8 P8 Zr4 -","4","2","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0399","0.0341","","","0.0849","0.089","","","","","","1.027","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517309","12.6729","0.0002","21.3485","0.0003","23.3993","0.0005","90","","96.078","0.002","90","","6295.03","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 B4 N4 P4 Zr -","- C60 H60 B4 N4 P4 Zr -","- C240 H240 B16 N16 P16 Zr4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine–Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.1165","0.0924","","","0.2751","0.3015","","","","","","1.261","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517386","15.3961","0.0005","13.602","0.0004","16.0574","0.0004","90","","90","","90","","3362.7","0.17","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N6 O3 S -","- C14 H18 N6 O3 S -","- C112 H144 N48 O24 S8 -","8","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.0678","0.0489","","","0.14","0.1538","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517387","8.1536","0.0004","8.732","0.0006","9.8349","0.0005","89.139","0.005","81.378","0.004","68.29","0.006","642.57","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N6 O2 S -","- C9 H14 N6 O2 S -","- C18 H28 N12 O4 S2 -","2","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.086","0.0659","","","0.1718","0.196","","","","","","1.127","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517388","9.1165","0.0008","10.8798","0.0013","13.0957","0.0015","73.946","0.01","88.38","0.008","77.43","0.009","1217.6","0.2","181","13","181","13","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 B Br2 -","- C27 H29 B Br2 -","- C54 H58 B2 Br4 -","2","1","","Ru, Chenglong; Wei, Qiuyu; Chen, Wenhao; Guan, Qiye; Zhang, Qianqian; Ling, Yuan; Tao, Chunlan; Qin, Dongdong; Wu, Jincai; Pan, Xiaobo","Tunable Conjugated Organoborane Oligomers for Visible-Light-Driven Hydrogen Evolution","ACS Energy Letters","2020","5","2","669","675","10.1021/acsenergylett.0c00075","","","0.71073","MoKα","","0.063","0.0415","","","0.0785","0.0871","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517403","13.7293","0.0004","11.363","0.0004","12.5175","0.0004","90","","95.847","0.003","90","","1942.65","0.11","119.99","0.1","119.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 O7 U0.5 -","- C6 H6 Cl2 O7 U0.5 -","- C48 H48 Cl16 O56 U4 -","8","1","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0201","0.0183","","","0.0435","0.0442","","","","","","1.041","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517404","13.8598","0.0007","11.496","0.0006","12.61","0.0006","90","","96.415","0.005","90","","1996.6","0.17","285","13","285","13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 O14 U -","- C12 H12 Cl4 O14 U -","- C48 H48 Cl16 O56 U4 -","4","0.5","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0221","0.02","","","0.0434","0.0445","","","","","","1.056","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517405","9.529","0.002","10.567","0.003","20.407","0.005","87.353","0.007","86.97","0.007","63.261","0.005","1832","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","Cs<sub>2</sub>CO<sub>3</sub>-Mediated Rapid Room-Temperature Synthesis of 3-Amino-2-aroyl Benzofurans and Their Copper-Catalyzed <i>N</i>-Arylation Reactions.","ACS omega","2020","5","7","3646","3660","10.1021/acsomega.9b04169","","","0.71073","MoKα","","0.126","0.092","","","0.2239","0.2417","","","","","","1.111","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517407","7.9413","0.0013","7.9555","0.0013","8.0755","0.0013","81.685","0.006","63.54","0.005","72.764","0.005","436.18","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","1","1","","Chiou, Wen-Hua; Hsu, Kuo-Hsun; Huang, Wen-Wei","Rh-Catalyzed Hydroformylation-Initiated Bicyclization: Construction of Azabicyclic Systems.","ACS omega","2020","5","7","3717","3724","10.1021/acsomega.9b04400","","x-ray","0.71073","MoKα","","0.074","0.056","","","0.117","0.1313","","","","","","0.946","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517414","7.8574","0.0004","19.2849","0.0009","9.9755","0.0005","90","","102.355","0.001","90","","1476.57","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O14 Zn -","- C26 H28 N6 O14 Zn -","- C52 H56 N12 O28 Zn2 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0311","0.0256","","","0.0503","0.0528","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517415","5.9866","0.0007","8.7293","0.001","22.354","0.003","96.624","0.003","90.797","0.004","90.264","0.003","1160.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N4 O12 Zn -","- C20 H20 N4 O12 Zn -","- C40 H40 N8 O24 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0623","0.0544","","","0.1793","0.1902","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517416","20.1428","0.0011","6.2816","0.0003","25.1031","0.0013","90","","104.399","0.005","90","","3076.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O12 Zn -","- C28 H28 N6 O12 Zn -","- C112 H112 N24 O48 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0552","0.0406","","","0.0788","0.0861","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517417","22.0343","0.0008","13.6328","0.0005","15.1548","0.0006","90","","100.715","0.001","90","","4473","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N8 O20 Zn2 -","- C42 H36 N8 O20 Zn2 -","- C168 H144 N32 O80 Zn8 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0469","0.0318","","","0.0877","0.0979","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517418","8.0671","0.0006","12.718","0.002","14.3069","0.0018","81.172","0.013","76.06","0.009","74.624","0.012","1367.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N6 O11 Zn -","- C26 H22 N6 O11 Zn -","- C52 H44 N12 O22 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0755","0.0523","","","0.0992","0.1178","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517430","9.6783","0.0009","23.209","0.002","14.9411","0.0014","90","","95.11","0.003","90","","3342.8","0.5","297","","297.04","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H30 N2 O -","- C49 H30 N2 O -","- C196 H120 N8 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Liu, Yi-Ran; Hu, Xiao; Zhang, He; Yu, Yang; Wei, Ying; Xie, Ling-Hai; Huang, Wei","The Dimensionality Transition between Three-Dimensional and Two-Dimensional Organic Microcrystals: Specific Symmetry and Selective Adhesion.","ACS omega","2020","5","7","3749","3754","10.1021/acsomega.9b03962","","x-ray","0.71073","MoKα","","0.1708","0.0622","","","0.1135","0.1471","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517432","13.7445","0.0011","17.581","0.0012","7.2542","0.0006","90","","101.283","0.008","90","","1719","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 O4 -","- C18 H14 F4 O4 -","- C72 H56 F16 O16 -","4","1","","Liu, Guangyuan; Zhang, Xingxing; Kuang, Guanghua; Lu, Naihao; Fu, Yang; Peng, Yiyuan; Xiao, Qiang; Zhou, Yirong","Phosphine-Free Ru-Catalyzed Regio- and Stereoselective Addition of Benzoic Acids to Trifluoromethylated Alkynes toward Facile Access to Trifluoromethyl Group-Substituted (E)-Enol Esters","ACS Omega","2020","5","8","4158","4166","10.1021/acsomega.9b03936","","x-ray","0.71073","MoKα","","0.0951","0.0571","","","0.1151","0.1334","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517503","7.2868","0.0006","14.4003","0.0012","16.4259","0.0013","90","","90","","90","","1723.6","0.2","298","2","295.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Au Cl2 N2 O2 -","- C5 H3 Au Cl2 N2 O2 -","- C40 H24 Au8 Cl16 N16 O16 -","8","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0286","0.0243","","","0.0627","0.0667","","","","","","1.084","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517504","7.0334","0.001","12.6524","0.0016","15.688","0.002","79.435","0.004","81.214","0.005","89.464","0.004","1356","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H22 Au F3 N3 O5 P S -","- C24 H22 Au F3 N3 O5 P S -","- C48 H44 Au2 F6 N6 O10 P2 S2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71073","MoKα","","0.0474","0.0435","","","0.1197","0.1217","","","","","","1.136","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517505","6.6857","0.001","7.2848","0.0011","8.9057","0.0013","94.664","0.002","106.878","0.002","91.649","0.002","413.06","0.11","298","2","295.5","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Au Cl2 N3 O -","- C5 H4 Au Cl2 N3 O -","- C10 H8 Au2 Cl4 N6 O2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0175","0.0174","","","0.0425","0.0426","","","","","","1.198","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517506","12.627","0.004","16.99","0.005","4.5162","0.0013","90","","90","","90","","968.9","0.5","273","2","273.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H8 Cl4 F6 N4 O -","- C15 H8 Cl4 F6 N4 O -","- C30 H16 Cl8 F12 N8 O2 -","2","0.5","","Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata","Tandem Detection of Sub-Nano Molar Level CN– and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN– and Development of the RGB-Based Sensory Device","ACS Omega","2020","5","12","6576","6587","10.1021/acsomega.9b04311","","","0.71073","MoKα","","0.0448","0.037","","","0.085","0.0903","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:59:37",""
"4517507","25.831","0.006","7.3258","0.0017","7.3487","0.0018","90","","90","","90","","1390.6","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cd Cl4 F6 N2 -","- C4 H10 Cd Cl4 F6 N2 -","- C16 H40 Cd4 Cl16 F24 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0538","0.0451","","","0.1082","0.1192","","","","","","1.149","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517508","7.5273","0.0009","7.4027","0.0009","23.054","0.003","90","","90","","90","","1284.6","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","csp-2fc-cd","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0539","0.0512","","","0.1184","0.1196","","","","","","1.396","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517509","11.2047","0.0008","7.6515","0.0005","7.305","0.0005","90","","104.162","0.007","90","","607.24","0.07","269.98","0.1","270","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cd Cl4 F2 N2 -","- C4 H14 Cd Cl4 F2 N2 -","- C8 H28 Cd2 Cl8 F4 N4 -","2","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0683","0.0656","","","0.1833","0.1861","","","","","","1.142","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517510","7.461","0.0007","23.412","0.002","7.5566","0.0007","90","","90","","90","","1320","0.2","340","2","340.01","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.25","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0606","0.053","","","0.1347","0.1423","","","","","","1.207","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517511","7.4525","0.0007","21.842","0.002","7.5766","0.0006","90","","90","","90","","1233.3","0.19","300","","300","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C16 H24 Cd4 Cl16 F8 N8 -","16","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0328","0.0314","","","0.0859","0.0872","","","","","","1.082","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517538","28.201","0.009","14.449","0.004","20.928","0.008","90","","91.058","0.016","90","","8526","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co2 F6 N2 O9 -","- C44 H42 Co2 F6 N2 O9 -","- C352 H336 Co16 F48 N16 O72 -","8","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","1.34139","GaKα","","0.0836","0.0524","","","0.133","0.1458","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517539","4.42","0.002","43.948","0.009","7.635","0.002","90","","97.64","0.03","90","","1469.9","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","0.71073","MoKα","","0.0368","0.0337","","","0.0843","0.0871","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517540","20.8825","0.0005","20.8825","0.0005","10.11","0.0003","90","","90","","90","","4408.8","0.2","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H26 Br8 F4 N4 O2 -","- C46 H26 Br8 F4 N4 O2 -","- C184 H104 Br32 F16 N16 O8 -","4","0.25","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","0.71073","MoKα","","0.099","0.0703","","","0.1878","0.2051","","","","","","1.071","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517541","36.7959","0.0004","10.19901","0.00008","30.7172","0.0003","90","","112.85","0.0011","90","","10623","0.2","99.99","0.11","99.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H26 Br8 F12 N4 O2 -","- C50 H26 Br8 F12 N4 O2 -","- C400 H208 Br64 F96 N32 O16 -","8","2","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","1.54184","CuKα","","0.0528","0.0476","","","0.1209","0.1241","","","","","","1.127","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517542","11.4317","0.0015","12.324","0.002","15.915","0.002","85.293","0.003","74.338","0.003","84.999","0.003","2146.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51 Cl O P2 Pd -","- C50 H51 Cl O P2 Pd -","- C100 H102 Cl2 O2 P4 Pd2 -","2","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","","0.0745","0.0464","","","0.1023","0.1148","","","","","","1.025","","","","has coordinates,has disorder","251431","2020-10-21","18:00:00",""
"4517543","12.1515","0.0006","12.242","0.0007","16.8588","0.0005","86.933","0.004","70.832","0.004","68.328","0.004","2194.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 F6 N O2 P2 Pd Sb -","- C48 H46 F6 N O2 P2 Pd Sb -","- C96 H92 F12 N2 O4 P4 Pd2 Sb2 -","2","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","","0.04","0.0271","","","0.0652","0.0686","","","","","","1.02","","","","has coordinates,has disorder","251431","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","301843","2025-08-21","01:59:38",""
"4517548","7.589","0.003","14.368","0.004","18.561","0.005","72.261","0.01","85.4","0.03","88.99","0.03","1921.4","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cl2 N2 O12 -","- C44 H40 Cl2 N2 O12 -","- C88 H80 Cl4 N4 O24 -","2","1","","Yang, Dezhi; Cao, Junzi; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Lu, Yang; Du, Guanhua","Solubility and Stability Advantages of a New Cocrystal of Berberine Chloride with Fumaric Acid.","ACS omega","2020","5","14","8283","8292","10.1021/acsomega.0c00692","","","1.54178","CuKα","","0.088","0.0714","","","0.2136","0.2483","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517549","5.0909","0.0007","18.372","0.003","11.6238","0.0014","90","","98.735","0.004","90","","1074.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1299","0.0643","","","0.1632","0.2137","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517550","14.8009","0.0003","11.9949","0.0003","15.0518","0.0005","90","","114.048","0.002","90","","2440.29","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1169","0.0578","","","0.1415","0.1778","","","","","","1.054","","","","has coordinates,has disorder","251430","2020-10-21","18:00:00",""
"4517557","10.4131","0.0009","7.3711","0.0006","5.4291","0.0005","90","","90","","90","","416.72","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.5","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.41127","synchrotron","","0.0594","0.0594","","0.0668","0.0667","","","","4.9","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517558","7.3444","0.0009","6.8828","0.0009","7.2247","0.0008","90","","90","","90","","365.21","0.08","593","","593","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0871","0.0835","","0.0879","0.0878","","","","4.49","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517559","7.3575","0.0013","6.7932","0.0015","7.2231","0.0012","90","","90","","90","","361.02","0.12","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.111","0.1094","","0.1015","0.1013","","","","4.7","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517560","7.16905","0.00016","7.16905","0.00016","7.16905","0.00016","90","","90","","90","","368.455","0.014","638","","638","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- H5 Na3 Ni -","- H5.0004 Na3 Ni -","- H20.0016 Na12 Ni4 -","4","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0641","0.0641","","0.0836","0.0836","","","","4.26","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517561","3.43235","0.00003","3.43235","0.00003","3.43235","0.00003","90","","90","","90","","40.4366","0.0006","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- H3 Na Ni -","- H3 Na Ni -","- H3 Na Ni -","1","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.3544","synchrotron","","0.0239","0.0239","","0.0351","0.0351","","","","1.28","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517638","5.383","0.003","12.923","0.007","43.54","0.02","90","","90","","90","","3029","3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N14 O7 -","- C8 H4 N14 O7 -","- C64 H32 N112 O56 -","8","2","","Zhai, Lianjie; Bi, Fuqiang; Zhang, Junlin; Zhang, Jiarong; Li, Xiangzhi; Wang, Bozhou; Chen, Sanping","3,4-Bis(3-tetrazolylfuroxan-4-yl)furoxan: A Linear C-C Bonded Pentaheterocyclic Energetic Material with High Heat of Formation and Superior Performance.","ACS omega","2020","5","19","11115","11122","10.1021/acsomega.0c01048","","","0.71073","MoKα","","0.0707","0.0432","","","0.0899","0.0993","","","","","","0.99","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4517647","15.601","0.004","8.0342","0.0018","17.108","0.004","90","","93.21","0.007","90","","2141","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O2 Ru -","- C25 H22 Cl N3 O2 Ru -","- C100 H88 Cl4 N12 O8 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0211","0.019","","","0.0508","0.0525","","","","","","1.069","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517648","15.3365","0.001","8.0892","0.0006","17.0781","0.0014","90","","93.968","0.002","90","","2113.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O Ru -","- C25 H22 Cl N3 O Ru -","- C100 H88 Cl4 N12 O4 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0273","0.0224","","","0.054","0.0565","","","","","","1.026","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517649","34.0106","0.0013","12.5712","0.0005","20.0181","0.0008","90","","123.395","0.001","90","","7145.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H41 Cl3 N4 O2.5 Ru2 -","- C35.5 H39.4997 Cl3 N4 O2.4999 Ru2 -","- C284 H315.998 Cl24 N32 O19.9992 Ru16 -","8","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0447","0.0313","","","0.0724","0.0788","","","","","","1.02","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517650","18.414","0.002","16.071","0.002","7.6248","0.0011","90","","97.453","0.004","90","","2237.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C102 H98 Cl4 N18 O6 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0424","0.0296","","","0.0597","0.0639","","","","","","1.023","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517654","7.801","0.004","12.152","0.006","15.317","0.008","90","","102.595","0.014","90","","1417.1","1.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O2 P2 Se4 -","- C28 H26 O2 P2 Se4 -","- C56 H52 O4 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0893","0.0676","","","0.1573","0.1738","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517655","9.3324","0.0013","9.3983","0.0007","12.8393","0.0014","70.724","0.011","88.5","0.014","64.524","0.008","950.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","1","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0259","0.0221","","","0.0567","0.0576","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517656","7.22","0.002","14.28","0.005","13.986","0.004","90","","98.244","0.007","90","","1427.1","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O4 P2 Se4 -","- C28 H22 O4 P2 Se4 -","- C56 H44 O8 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.1034","0.0427","","","0.0775","0.0875","","","","","","0.897","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517657","7.495","0.004","7.59","0.004","12.69","0.006","95.836","0.013","96.199","0.007","107.677","0.014","676.9","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N2 O2 Se -","- C16 H12 N2 O2 Se -","- C32 H24 N4 O4 Se2 -","2","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0672","0.0475","","","0.1081","0.13","","","","","","0.989","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517658","9.609","0.0012","23.648","0.003","11.5281","0.0014","90","","101.559","0.003","90","","2566.4","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl2 N2 P Se2 -","- C25 H25 Cl2 N2 P Se2 -","- C100 H100 Cl8 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0264","0.0213","","","0.0509","0.0525","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517659","11.336","0.002","9.2316","0.0016","20.825","0.004","90","","98.573","0.005","90","","2155","0.7","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0768","0.0512","","","0.1287","0.1454","","","","","","1.121","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517660","12.7802","0.0014","12.2729","0.0014","14.4466","0.0019","90","","105.094","0.003","90","","2187.8","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0351","0.0248","","","0.0566","0.0602","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517661","14.79","0.002","8.9919","0.001","18.129","0.003","90","","108.719","0.004","90","","2283.4","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N2 P Se2 -","- C24 H25 N2 P Se2 -","- C96 H100 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0328","0.0231","","","0.0527","0.0562","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517739","15.3733","0.0001","7.8961","0.0001","24.1511","0.0002","90","","92.627","0.001","90","","2928.6","0.05","100","0.17","100","0.17","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O10 -","- C15 H15.5 O10 -","- C120 H124 O80 -","8","2","","Hu, Hongchao; Luo, Fan; Wang, Mingjie; Fu, Zhihuan; Shu, Xugang","New Method for Extracting and Purifying Dihydromyricetin from <i>Ampelopsis grossedentata</i>.","ACS omega","2020","5","23","13955","13962","10.1021/acsomega.0c01222","","x-ray","1.54184","CuKα","","0.0382","0.0344","","","0.0933","0.0956","","","","","","1.064","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4517747","9.26094","0.00004","9.56903","0.00005","13.38456","0.00006","90","","90","","90","","1186.12","0.01","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0409","0.0408","","","0.1194","0.1196","","","","","","1.191","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517748","7.9009","0.0002","10.9614","0.0003","13.2772","0.0004","90","","90","","90","","1149.87","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Cl N2 O5 -","- C11 H7 Cl N2 O5 -","- C44 H28 Cl4 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0394","0.036","","","0.0742","0.0764","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517749","9.6892","0.0004","9.8837","0.0004","10.8874","0.0004","90","","90","","90","","1042.63","0.07","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C44 H32 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0409","0.037","","","0.081","0.0831","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517750","5.6724","0.0002","9.6556","0.0003","9.4591","0.0004","90","","103.91","0.004","90","","502.89","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C22 H16 N4 O10 -","2","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0373","0.0347","","","0.0765","0.0778","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517751","14.9944","0.0003","14.9944","0.0003","9.2172","0.0001","90","","90","","120","","1794.68","0.05","150","0.1","150","0.1","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H11 N2 O3.5 -","- C11 H11 N2 O3.5 -","- C66 H66 N12 O21 -","6","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0957","0.0962","","","","","","1.133","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517752","4.7466","0.0001","12.1979","0.0002","16.5531","0.0003","90","","90","","90","","958.4","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O3 -","- C11 H8 N2 O3 -","- C44 H32 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0326","0.0313","","","0.0821","0.0831","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517753","8.3394","0.0003","9.2251","0.0003","10.2483","0.0003","112.584","0.003","102.063","0.003","99.352","0.003","685.68","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C13 H14 Cl2 N2 O2 -","- C13 H14 Cl2 N2 O2 -","- C26 H28 Cl4 N4 O4 -","2","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0866","0.0873","","","","","","1.048","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517754","10.0284","0.0003","11.8376","0.0003","18.0484","0.0005","90","","90","","90","","2142.57","0.1","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C88 H64 N16 O40 -","8","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0453","0.039","","","0.0794","0.0823","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517755","9.90829","0.00008","9.74229","0.00007","19.67523","0.00017","90","","102.549","0.0008","90","","1853.87","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","4","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0363","0.0359","","","0.0963","0.0971","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517765","6.9727","0.0011","19.869","0.003","12.956","0.002","90","","91.013","0.004","90","","1794.7","0.5","101","","101","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0354","0.0353","","","0.0871","0.0871","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517766","9.9474","0.0003","14.0292","0.0004","18.0762","0.0006","90","","91.968","0.001","90","","2521.12","0.13","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 -","- C36 H26 N2 -","- C144 H104 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0364","0.0355","","","0.0888","0.0896","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517767","5.8952","0.0004","8.3803","0.0004","21.5947","0.0013","94.192","0.005","91.254","0.005","96.483","0.005","1056.71","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 F N2 O4 S -","- C24 H19 F N2 O4 S -","- C48 H38 F2 N4 O8 S2 -","2","1","","Wang, Ning; Yang, Qin; Deng, Zhihong; Mao, Xuechun; Peng, Yiyuan","Rhodium-Catalyzed Merging of 2-Arylquinazolinone and 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Monofluoroolefin Quinazolinone Derivatives.","ACS omega","2020","5","24","14635","14644","10.1021/acsomega.0c01344","","x-ray","0.71073","MoKα","","0.0631","0.05","","","0.1179","0.1264","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517780","12.4492","0.0011","12.9077","0.0012","16.7609","0.0015","93.584","0.002","93.336","0.002","116.209","0.001","2400.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 N12 Ni2 O12 -","- C32 H32 Cl4 N12 Ni2 O12 -","- C64 H64 Cl8 N24 Ni4 O24 -","2","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0966","0.0782","","","0.1962","0.2073","","","","","","1.068","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517781","16.747","0.004","16.263","0.004","16.884","0.004","90","","102.324","0.004","90","","4492.5","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N16 O16 Zn2 -","- C32 H32 N16 O16 Zn2 -","- C128 H128 N64 O64 Zn8 -","4","0.5","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0906","0.0789","","","0.2137","0.2191","","","","","","1.12","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517782","17.656","0.005","9.054","0.003","9.668","0.003","90","","102.861","0.006","90","","1506.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O2 -","- C15 H14 N6 O2 -","- C60 H56 N24 O8 -","4","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.1612","0.1239","","","0.2839","0.301","","","","","","1.185","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517783","8.6269","0.0002","9.0681","0.0002","14.8527","0.0003","75.02","0.0006","86.4","0.0008","65.994","0.001","1024.16","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O3 Sn -","- C23 H23 N O3 Sn -","- C46 H46 N2 O6 Sn2 -","2","1","","Khan, Huzaifa Yasir; Maurya, Santosh K.; Siddique, Hifzur R.; Yousuf, Shariq; Arjmand, Farukh","New Tailored RNA-Targeted Organometallic Drug Candidates against Huh7 (Liver) and Du145 (Prostate) Cancer Cell Lines","ACS Omega","2020","5","25","15218","15228","10.1021/acsomega.0c01206","","","0.71073","MoKα","","0.0266","0.0235","","","0.0486","0.0504","","","","","","1.0529","","","","has coordinates","257068","2020-10-21","18:00:00",""
"4517784","9.833","0.0003","17.3251","0.0007","11.7851","0.0004","90","","94.219","0.002","90","","2002.24","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C96 H96 N16 -","8","2","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0338","0.0321","","","0.0876","0.0892","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517785","9.6273","0.0004","9.7032","0.0004","20.4587","0.0009","90","","96.053","0.002","90","","1900.51","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0596","0.0576","","","0.1632","0.1648","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517786","8.0734","0.0001","18.0661","0.0003","11.5367","0.0002","90","","94.229","0.001","90","","1678.1","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 N2 O Pt S -","- C14 H18 Cl2 N2 O Pt S -","- C56 H72 Cl8 N8 O4 Pt4 S4 -","4","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0222","0.0215","","","0.0494","0.0497","","","","","","1.212","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517787","7.0497","0.0011","8.924","0.0009","22.361","0.003","90","","93.939","0.011","90","","1403.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N5 O -","- C17 H11 N5 O -","- C68 H44 N20 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Zhilina, Ekaterina F.; Rusinov, Gennady L.; Chupakhin, Oleg N.; Charushin, Valery N.","Synthesis of Heteroannulated Indolopyrazines through Domino N‒H Palladium-Catalyzed/Metal-Free Oxidative C‒H Bond Activation","ACS Omega","2020","5","25","15681","15690","10.1021/acsomega.0c01945","","","0.71073","MoKα","","0.1272","0.0515","","","0.1095","0.1511","","","","","","1.001","","","","has coordinates","257070","2020-10-21","18:00:00",""
"4517788","12.269","0.0008","9.289","0.0007","21.0005","0.0016","90","","92.724","0.002","90","","2390.7","0.3","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Mn2 N2 O10 -","- C16 H26 Mn2 N2 O10 -","- C64 H104 Mn8 N8 O40 -","4","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.0707","0.0532","","","0.1036","0.1095","","","","","","1.116","","","","has coordinates,has disorder","257071","2020-10-21","18:00:00",""
"4517789","9.362","0.002","10.82","0.003","12.659","0.003","70.17","0.005","87.581","0.005","79.631","0.006","1186.3","0.5","573","2","573","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn2 N2 O11 -","- C16 H28 Mn2 N2 O11 -","- C32 H56 Mn4 N4 O22 -","2","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.1143","0.0661","","","0.1493","0.177","","","","","","1.029","","","","has coordinates","257071","2020-10-21","18:00:00",""
"4517833","7.8459","0.0009","9.8098","0.0012","11.0823","0.0012","90","","101.069","0.003","90","","837.1","0.17","299","2","299.05","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 I N2 O2 -","- C15 H21 I N2 O2 -","- C30 H42 I2 N4 O4 -","2","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0396","0.03","","","0.0548","0.0583","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517834","11.3057","0.0009","11.237","0.001","12.7785","0.001","90","","113.087","0.002","90","","1493.4","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0574","0.0368","","","0.0797","0.0885","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517837","15.342","0.007","6.244","0.006","10.989","0.007","90","","100.86","0.01","90","","1033.8","1.3","298","","298","","","","101.325","","","","","2","C 1 2/c 1","-C 2yc","15","","Zinc Hydroxide Dihydrate","","- O12 Zn5 -","- H14 O12 Zn5 -","- H56 O48 Zn20 -","4","0.5","","Gordeeva, Alisa; Hsu, Ying-Jui; Jenei, Istvan Z.; Brant Carvalho, Paulo H. B.; Simak, Sergei I.; Andersson, Ove; Häussermann, Ulrich","Layered Zinc Hydroxide Dihydrate, Zn<sub>5</sub>(OH)<sub>10</sub>·2H<sub>2</sub>O, from Hydrothermal Conversion of ε-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its Transformation to Nanocrystalline ZnO.","ACS omega","2020","5","28","17617","17627","10.1021/acsomega.0c02075","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.030127","3.2013","","","","","","","has coordinates","254766","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","301843","2025-08-21","01:59:38",""
"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","301843","2025-08-21","01:59:38",""
"4517842","8.6942","0.0006","5.3788","0.0004","31.905","0.002","90","","95.078","0.006","90","","1486.16","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1H-indole-2-methanol","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0923","0.0556","","","0.1307","0.1569","","","","","","1.027","","","","has coordinates,has disorder","255799","2020-10-21","18:00:00",""
"4517843","17.5632","0.0013","15.4812","0.0011","8.2466","0.0005","90","","90","","90","","2242.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Indole-3-carbinol","","- C9 H9 N O -","- C9 H9 N O -","- C108 H108 N12 O12 -","12","3","","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","","0.0991","0.0639","","","0.144","0.168","","","","","","1.0376","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517844","3.87758","0.00014","7.6453","0.0003","23.7995","0.0009","90","","90","","90","","705.54","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 -","- C9 H6 N2 -","- C36 H24 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","1.54184","CuKα","","0.0353","0.0326","","","0.0768","0.0789","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517845","3.75839","0.00009","12.0667","0.0003","15.8045","0.0004","90","","90.73","0.002","90","","716.7","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitroindole","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","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","","0.0422","0.038","","","0.1058","0.1098","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:59:38",""
"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","301843","2025-08-21","01:59:38",""
"4517847","4.163","0.007","14.96","0.02","19.62","0.03","90","","90","","90","","1222","3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(thiophen-2-yl)prop-2-en-1-one","","- C12 H12 N2 O2 S -","- C12 H13 N2 O2 S -","- C48 H52 N8 O8 S4 -","4","1","","Tighadouini, Said; Radi, Smaail; El Massaoudi, Mohamed; Lakbaibi, Zouhair; Ferbinteanu, Marilena; Garcia, Yann","Efficient and Environmentally Friendly Adsorbent Based on β-Ketoenol-Pyrazole-Thiophene for Heavy-Metal Ion Removal from Aquatic Medium: A Combined Experimental and Theoretical Study.","ACS omega","2020","5","28","17324","17336","10.1021/acsomega.0c01616","","x-ray","0.71075","MoKα","","0.369","0.1786","","","0.4108","0.5506","","","","","","1.0011","","","","has coordinates","254765","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","301843","2025-08-21","01:59:38",""
"4517888","8.1746","0.0005","11.1625","0.0007","13.359","0.0009","106.939","0.003","98.293","0.003","96.435","0.003","1138.52","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H30 N12 O8 -","- C13 H30 N12 O8 -","- C26 H60 N24 O16 -","2","1","","Cai, He; Zhang, Xingwang; Lei, Lecheng; Xiao, Chengliang","Direct CO<sub>2</sub> Capture from Air via Crystallization with a Trichelating Iminoguanidine Ligand.","ACS omega","2020","5","32","20428","20437","10.1021/acsomega.0c02460","","","0.71073","MoKα","","0.1287","0.0662","","","0.1546","0.1852","","","","","","1.008","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4517892","10.7289","0.0005","11.1254","0.0005","25.2451","0.0012","90","","91.502","0.001","90","","3012.3","0.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Nariyangadu, Sesha Bamini; Choedak, Tenzin; Malar, Ezekiel Joy Padma; Chen, Junsheng; Thyrhaug, Erling; Kumar, Pushpendra; Zhou, Jinming; Yechuri, Vidyalakshmi; Pal, Suman Kalyan; Lidin, Sven; Thangadhorai, Kejalakshmy Namassivayane; Karki, Khadga J.; Pullerits, Tönu","New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate.","ACS omega","2020","5","33","20863","20873","10.1021/acsomega.0c02303","","x-ray","0.71073","MoKα","","0.1064","0.0537","","","0.1413","0.159","","","","2.4","2.4","1.92","","","","has coordinates","255862","2020-10-21","18:00:00",""
"4517896","7.9811","0.0003","10.8039","0.0004","11.8435","0.0004","68.2887","0.0018","81.0025","0.0019","65.8247","0.0016","865.56","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C40 H32 N8 O8 -","2","1","","Oka, Yoshimi","Cesium Cation Complexation by a Flavin Receptor via Self-Assembly and Deprotonation.","ACS omega","2020","5","33","21226","21230","10.1021/acsomega.0c03006","","","1.54187","CuKα","","","0.0471","","","","0.1325","","","","","","0.981","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517897","10.1941","0.0014","15.966","0.002","12.8443","0.0018","90","","103.751","0.006","90","","2030.6","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N6 Ni2 O10 -","- C42 H50 N6 Ni2 O10 -","- C84 H100 N12 Ni4 O20 -","2","0.5","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.1655","0.0609","","","0.1024","0.1359","","","","","","0.982","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517898","10.2641","0.0008","16.8498","0.0013","13.0024","0.001","90","","98.545","0.003","90","","2223.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 Ni O6 -","- C22 H29 N3 Ni O6 -","- C88 H116 N12 Ni4 O24 -","4","1","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.0292","0.0249","","","0.0618","0.0641","","","","","","1.048","","","","has coordinates","257072","2020-10-21","18:00:00",""
"4517899","12.813","0.004","5.8882","0.0014","6.7088","0.0013","90","","118.25","0.02","90","","445.9","0.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 O6 Zr -","- C2 H2 O6 Zr -","- C8 H8 O24 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","powder diffraction","x-ray","1.5418","CuKα","","0.0417","0.0417","","0.06","0.06","","","","4.45","","","","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517900","6.9269","0.0003","10.4427","0.0006","10.6447","0.0006","78.421","0.002","86.155","0.002","89.945","0.002","752.56","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","1","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0378","0.0282","","","0.0529","0.0566","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517901","13.8646","0.0009","10.4241","0.0006","8.929","0.0005","90","","95.743","0.003","90","","1284","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Na2 O14 Zr -","- C6 H4 Na2 O14 Zr -","- C24 H16 Na8 O56 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0368","0.0286","","","0.0534","0.0572","","","","","","1.068","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517902","9.2166","0.0009","11.169","0.001","14.094","0.0015","90","","107.718","0.005","90","","1382","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 K O16 Zr -","- C6 H9 K O16 Zr -","- C24 H36 K4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0422","0.0291","","","0.0593","0.064","","","","","","1.06","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517903","9.3411","0.0007","11.1701","0.0008","14.2537","0.0009","90","","107.699","0.002","90","","1416.85","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O16 Zr -","- C6 H13 N O16 Zr -","- C24 H52 N4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.034","0.0248","","","0.0583","0.0624","","","","","","1.043","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517904","7.7027","0.0005","8.9788","0.0006","10.6518","0.0007","79.179","0.003","72.476","0.004","76.975","0.003","678.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 O15 Rb Zr -","- C6 H3 O15 Rb Zr -","- C12 H6 O30 Rb2 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0524","0.0367","","","0.09","0.0986","","","","","","1.026","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517905","7.7318","0.0004","9.1847","0.0005","10.6352","0.0005","78.861","0.002","72.333","0.002","77.713","0.002","696.41","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Cs O15 Zr -","- C6 H3 Cs O15 Zr -","- C12 H6 Cs2 O30 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0486","0.0377","","","0.0949","0.102","","","","","","0.973","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517958","7.213","0.002","9.427","0.002","13.291","0.005","73.712","0.006","82.58","0.007","86.521","0.01","859.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F3 N O4 -","- C19 H16 F3 N O4 -","- C38 H32 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0821","0.0462","","","0.0893","0.102","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517959","10.547","0.003","9.089","0.002","10.569","0.003","90","","117.789","0.008","90","","896.3","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O4 -","- C20 H18 F3 N O4 -","- C40 H36 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0816","0.0474","","","0.0793","0.0907","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517968","11.1225","0.0001","15.3457","0.0002","28.5934","0.0003","90","","97.894","0.001","90","","4834.15","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl2 N3 O2 -","- C27 H23 Cl2 N3 O2 -","- C216 H184 Cl16 N24 O16 -","8","2","","Lai, Xiangfeng; Che, Chao","Synthesis of Chromeno[4,3-b]pyrrol-4(1H)-ones through a Multicomponent Reaction and Cyclization Strategy","ACS Omega","2020","5","34","21968","21977","10.1021/acsomega.0c03589","","x-ray","1.54184","CuKα","","0.0493","0.0437","","","0.1148","0.1213","","","","","","1.021","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4518025","11.8617","0.0007","14.6759","0.0008","11.3999","0.0007","90","","96.235","0.005","90","","1972.8","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 O6 P2 -","- C46 H46 O6 P2 -","- C92 H92 O12 P4 -","2","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1323","0.0608","","","0.1488","0.1905","","","","","","0.928","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518026","6.07681","0.00012","12.5823","0.0003","18.8446","0.0006","70.567","0.003","81.108","0.002","85.4235","0.0018","1341.83","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","1","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0946","0.0675","","","0.1785","0.1921","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518027","11.0373","0.0003","20.9634","0.0004","24.3544","0.0005","76.4018","0.0017","81.4278","0.0017","80.7315","0.0019","5369.2","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl3 O3 P -","- C22 H20 Cl3 O3 P -","- C176 H160 Cl24 O24 P8 -","8","4","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1094","0.0657","","","0.2273","0.2632","","","","","","1.092","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4518028","11.6696","0.0003","12.2099","0.0003","16.0856","0.0004","78.793","0.002","71.385","0.002","77.94","0.002","2103.86","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 O6 P2 -","- C48 H50 O6 P2 -","- C96 H100 O12 P4 -","2","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0591","0.0478","","","0.1382","0.1466","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518029","14.58208","0.00011","14.63153","0.00014","21.2423","0.0002","90","","96.8405","0.0008","90","","4499.96","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H54 O6 P2 -","- C53 H54 O6 P2 -","- C212 H216 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0568","0.0462","","","0.1172","0.1235","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518030","23.019","0.005","9.024","0.0018","17.562","0.004","90","","95.31","0.03","90","","3632.4","1.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 O6 P2 -","- C44 H42 O6 P2 -","- C176 H168 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","","0.8","synchrotron","","0.0752","0.0656","","","0.1907","0.2064","","","","","","1.056","","","","has coordinates,has disorder","257063","2020-10-21","18:00:00",""
"4518031","19.383","0.004","20.236","0.004","19.392","0.004","90","","119.84","0.01","90","","6598","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 N2 O Pd S -","- C34 H38 Cl2 N2 O Pd S -","- C272 H304 Cl16 N16 O8 Pd8 S8 -","8","2","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0549","0.0397","","","0.0849","0.0952","","","","","","1.065","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518032","12.73","0.004","14.003","0.004","8.513","0.002","90","","106.232","0.01","90","","1457","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 N4 Ni -","- C32 H36 Cl2 N4 Ni -","- C64 H72 Cl4 N8 Ni2 -","2","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.1483","0.103","","","0.2373","0.2607","","","","","","1.061","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518033","24.275","0.005","24.275","0.005","18.364","0.006","90","","90","","90","","10821","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39.72 H58.29 Cl4 N4 Ni2 O3.43 -","- C39.716 H58.29 Cl4 N4 Ni2 O3.429 -","- C317.728 H466.32 Cl32 N32 Ni16 O27.432 -","8","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0793","0.053","","","0.1428","0.1747","","","","","","1.268","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518034","8.623","0.003","9.493","0.003","11.552","0.004","112.209","0.01","107.067","0.009","96.813","0.01","808.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0267","0.0223","","","0.0512","0.0543","","","","","","1.123","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518035","9.1117","0.0004","9.1126","0.0003","9.5279","0.0004","73.971","0.003","81.252","0.004","86.515","0.003","751.36","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","x-ray","0.71073","MoKα","","0.0855","0.065","","","0.1924","0.2076","","","","","","1.111","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4518036","9.364","0.0004","12.4629","0.0004","12.6747","0.0003","105.516","0.002","102.852","0.003","102.045","0.003","1331.73","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","","1.54184","CuKα","","0.1021","0.0892","","","0.2384","0.2479","","","","","","1.093","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4518045","5.6074","0.0002","10.999","0.0004","11.5162","0.0004","70.359","0.003","87.896","0.003","80.916","0.003","660.45","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C24 H32 N4 O10 S2 -","2","2","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0345","0.0343","","","0.0943","0.0945","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518046","16.6577","0.0003","9.0916","0.0002","11.5007","0.0002","90","","102.302","0.002","90","","1701.73","0.06","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H17 Cl3 N2 O6 -","- C13 H17 Cl3 N2 O6 -","- C52 H68 Cl12 N8 O24 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0388","0.0383","","","0.0992","0.0997","","","","","","1.014","","","","has coordinates,has disorder","257074","2020-10-21","18:00:00",""
"4518047","7.0716","0.0003","14.82","0.0004","15.8935","0.0006","90","","90","","90","","1665.66","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl2 N3 O5 -","- C13 H19 Cl2 N3 O5 -","- C52 H76 Cl8 N12 O20 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0609","0.0585","","","0.1546","0.1567","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518063","9.7284","0.0006","10.1848","0.0006","21.6633","0.0013","90","","95.2937","0.0009","90","","2137.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Br2 N3 O4 -","- C19 H23 Br2 N3 O4 -","- C76 H92 Br8 N12 O16 -","4","0.5","","Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias","Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts","ACS Omega","2020","5","38","24954","24963","10.1021/acsomega.0c03883","","","0.71073","MoKα","","0.0255","0.022","","","0.0521","0.0535","","","","","","1.084","","","","has coordinates,has disorder","257075","2020-10-21","18:00:00",""
"4518104","13.8479","0.0006","13.8479","0.0006","22.9802","0.001","90","","90","","120","","3816.4","0.3","112.1","0.4","112.1","0.4","","","","","","","","4","P 61","P 61","169","","","","- C25 H33 N3 O5 -","- C25 H33 N3 O5 -","- C150 H198 N18 O30 -","6","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.1417","0.1121","","","0.2865","0.3197","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518105","9.7164","0.0004","12.392","0.0004","7.6809","0.0003","90","","105.389","0.004","90","","891.67","0.06","293","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NRD_50","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0853","0.0805","","","0.2538","0.262","","","","","","1.0341","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518106","11.5951","0.0002","15.3645","0.0003","18.9752","0.0005","90","","90","","90","","3380.49","0.13","296.54","0.18","296.54","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N4 O7 -","- C31 H42 N4 O7 -","- C124 H168 N16 O28 -","4","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0811","0.0683","","","0.2023","0.2176","","","","","","1.057","","","","has coordinates","302047","2025-09-07","14:15:44",""
"4518107","26.555","0.01","6.0271","0.0013","28.976","0.013","90","","115.99","0.05","90","","4169","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N3 O6 -","- C18 H25 N3 O6 -","- C144 H200 N24 O48 -","8","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","0.71073","MoKα","","0.1017","0.0617","","","0.1543","0.1731","","","","","","1.001","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518116","11.6007","0.0008","5.3802","0.0003","20.9518","0.0016","90","","105.418","0.008","90","","1260.63","0.16","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the Solubility and Bioavailability of Pemafibrate via a New Polymorph Form II.","ACS omega","2020","5","40","26245","26252","10.1021/acsomega.0c04005","","x-ray","0.71073","MoKα","","0.0949","0.0657","","","0.1509","0.1707","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518126","18.4812","0.0013","20.0663","0.0014","16.503","0.0012","90","","97.1637","0.001","90","","6072.4","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O16 S2 -","- C55 H64 Cu2 F6 N8 O16 S2 -","- C220 H256 Cu8 F24 N32 O64 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1245","0.0742","","","0.1855","0.2203","","","","","","1.026","","","","has coordinates,has disorder","258697","2020-11-04","01:16:12",""
"4518127","10.2103","0.0006","17.798","0.0011","17.8614","0.0011","66.3506","0.0012","86.0444","0.0013","80.6582","0.0013","2933.8","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H67 Cu2 F6 N8 O14 S2 -","- C54 H59 Cu2 F6 N8 O14 S2 -","- C108 H118 Cu4 F12 N16 O28 S4 -","2","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.0808","0.0653","","","0.2011","0.2169","","","","","","1.056","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518128","18.6107","0.0018","20.1138","0.0019","16.3528","0.0016","90","","96.202","0.001","90","","6085.5","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O14 S2 -","- C55 H66 Cu2 F6 N8 O14 S2 -","- C220 H264 Cu8 F24 N32 O56 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1155","0.0792","","","0.227","0.2597","","","","","","1.057","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518131","9.9179","0.0003","11.9722","0.0003","13.8685","0.0004","93.109","0.001","92.712","0.001","91.78","0.001","1641.53","0.08","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H32 N2 Pt S2 -","- C42 H32 N2 Pt S2 -","- C84 H64 N4 Pt2 S4 -","2","2","","Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M.","Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties.","ACS omega","2020","5","41","26855","26863","10.1021/acsomega.0c03993","","","0.71073","MoKα","","0.0366","0.0322","","","0.0733","0.076","","","","","","1.035","","","","has coordinates","258698","2020-11-04","01:16:22",""
"4518135","20.829","0.0005","6.8342","0.0002","10.208","0.0003","90","","112.556","0.002","90","","1341.95","0.07","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C72 H56 N4 O4 -","2","0.5","","Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid","Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound.","ACS omega","2020","5","42","27227","27234","10.1021/acsomega.0c03376","","","1.54178","","","0.0263","0.0259","","","0.0701","0.0706","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518136","12.8882","0.0012","16.8832","0.0015","7.8668","0.0007","90","","106.261","0.003","90","","1643.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 O2 S -","- C18 H15 N5 O2 S -","- C72 H60 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0579","0.0425","","","0.1032","0.112","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518137","13.888","0.002","4.7349","0.0008","23.274","0.004","90","","91.509","0.006","90","","1529.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N5 O2 S -","- C16 H13 N5 O2 S -","- C64 H52 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0754","0.0578","","","0.1422","0.1604","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518149","10.9772","0.0006","46.096","0.003","10.9795","0.0006","90","","93.001","0.001","90","","5548.1","0.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C48 H54 Cl4 F12 N O2 P2 Rh S Sb2 -","- C48 H54 Cl4 F12 N O2 P2 Rh S Sb2 -","- C192 H216 Cl16 F48 N4 O8 P8 Rh4 S4 Sb8 -","4","2","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0464","0.0426","","","0.099","0.1018","","","","","","1.033","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4518150","10.976","0.0018","46","0.008","10.984","0.0018","90","","93.038","0.003","90","","5538","1.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C47.5 H55 Cl3 F12 Ir N O3 P2 S Sb2 -","- C47.5 H53 Cl3 F12 Ir N O3 P2 S Sb2 -","- C190 H212 Cl12 F48 Ir4 N4 O12 P8 S4 Sb8 -","4","2","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0606","0.0488","","","0.1042","0.1106","","","","","","0.987","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4518166","5.6564","0.0003","10.7717","0.0006","11.2333","0.0006","67.751","0.002","80.44","0.002","83.967","0.002","624.01","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N3 O6 S -","- C9 H15 N3 O6 S -","- C18 H30 N6 O12 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0626","0.0354","","","0.0985","0.1116","","","","1.2","1.2","1.12","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518167","6.2307","0.0003","9.0432","0.0004","11.7429","0.0005","97.642","0.002","93.975","0.002","103.694","0.002","633.64","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 N Na O7 P S -","- C9 H9 N Na O7 P S -","- C18 H18 N2 Na2 O14 P2 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0462","0.0427","","","0.1057","0.1077","","","","1.2","1.2","1.19","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518168","6.2294","0.0008","9.8153","0.0016","17.133","0.003","90","","92.88","0.005","90","","1046.2","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H8 N O5.5 S -","- C9 H8 N O5.5 S -","- C36 H32 N4 O22 S4 -","4","2","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71069","MoKα","","0.0425","0.0388","","","0.0749","0.0766","","","","1.08","1.08","1.09","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518169","14.784","0.0009","6.8291","0.0004","16.075","0.0008","90","","106.46","0.002","90","","1556.44","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O6 S -","- C14 H16 N2 O6 S -","- C56 H64 N8 O24 S4 -","4","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0586","0.0415","","","0.1213","0.1316","","","","1.2","1.2","1.14","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518196","16.3426","0.0004","32.7061","0.0008","10.0263","0.0002","90","","90","","90","","5359.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","2","","Aratikatla, Eswar K.; Kalamuddin, Md; Malhotra, Pawan; Mohmmed, Asif; Bhattacharya, Asish K.","Enantioselective Synthesis of γ-Phenyl-γ-amino Vinyl Phosphonates and Sulfones and Their Application to the Synthesis of Novel Highly Potent Antimalarials.","ACS omega","2020","5","45","29025","29037","10.1021/acsomega.0c03470","","","1.54178","CuKα","","0.032","0.0308","","","0.0811","0.0825","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518204","8.8241","0.0002","15.4498","0.0003","20.9753","0.0005","90","","93.185","0.002","90","","2855.16","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N6 O9.26 -","- C28 H32 N6 O9.256 -","- C112 H128 N24 O37.024 -","4","1","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0502","0.0321","","","0.0795","0.0827","","","","","","0.976","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518205","15.6616","0.0005","16.0618","0.0004","20.4891","0.0006","102.644","0.002","104.632","0.002","98.413","0.002","4753.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H67 Cl2 N7 O8 -","- C44.5 H67 Cl2 N7 O8 -","- C178 H268 Cl8 N28 O32 -","4","2","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0549","0.0335","","","0.0854","0.0895","","","","","","1.026","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4518206","8.5352","0.0003","20.3585","0.0007","15.2562","0.0005","90","","90.899","0.003","90","","2650.65","0.16","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65 N12 O17 -","- C50 H65 N12 O17 -","- C100 H130 N24 O34 -","2","0.5","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0513","0.0306","","","0.0657","0.068","","","","","","0.903","","","","has coordinates","259511","2020-12-04","02:14:59",""
"4518207","13.5574","0.0003","17.7049","0.0003","29.5129","0.0005","90","","90","","90","","7084.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","1","0.25","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0553","0.0404","","","0.1055","0.111","","","","","","0.989","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518208","8.464","0.0006","14.0128","0.001","12.6748","0.0008","90","","99.102","0.002","90","","1484.36","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br4 Hg N2 -","- C10 H10 Br4 Hg N2 -","- C40 H40 Br16 Hg4 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0238","0.0228","","","0.0545","0.055","","","","","","1.063","","","","has coordinates","259510","2020-12-04","02:14:43",""
"4518209","8.991","0.003","19.04","0.008","9.004","0.003","90","","93.322","0.013","90","","1538.8","1","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C24 H18 Hg I4 N4 -","- C24 H18 Hg I4 N4 -","- C48 H36 Hg2 I8 N8 -","2","0.5","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0487","0.0419","","","0.0983","0.1032","","","","","","1.132","","","","has coordinates,has disorder","259510","2020-12-04","02:14:46",""
"4518210","7.8704","0.0004","15.6908","0.0007","13.8093","0.0007","90","","90.282","0.002","90","","1705.33","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg I4 N2 -","- C10 H10 Hg I4 N2 -","- C40 H40 Hg4 I16 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.039","0.0279","","","0.0584","0.0659","","","","","","1.254","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518211","7.4413","0.0003","21.6102","0.0012","15.4817","0.0008","90","","94.962","0.002","90","","2480.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl6 Hg2 N4 -","- C20 H18 Cl6 Hg2 N4 -","- C80 H72 Cl24 Hg8 N16 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.034","0.0224","","","0.0437","0.0503","","","","","","1.066","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518212","16.3186","0.0006","10.696","0.0004","14.6085","0.0005","90","","107.856","0.001","90","","2427","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl4 Hg N4 O -","- C24 H20 Cl4 Hg N4 O -","- C96 H80 Cl16 Hg4 N16 O4 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0241","0.0223","","","0.054","0.0547","","","","","","1.059","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518213","7.816","0.0007","9.0601","0.0008","18.787","0.0017","86.438","0.003","86.462","0.003","66.489","0.003","1216.59","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Br4 Hg N4 -","- C24 H18 Br4 Hg N4 -","- C48 H36 Br8 Hg2 N8 -","2","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0398","0.0389","","","0.0986","0.0992","","","","","","1.104","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518217","9.9064","0.0002","10.7737","0.0002","13.562","0.0002","90","","103.821","0.002","90","","1405.54","0.05","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 Cl2 P4 Pd2 -","- C18 H46 Cl2 P4 Pd2 -","- C36 H92 Cl4 P8 Pd4 -","2","0.5","","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","","0.0137","0.0136","","","0.0349","0.035","","","","","","1.183","","","","has coordinates","259505","2020-12-04","02:13:24",""
"4518218","6.9572","0.0001","11.9501","0.0002","13.6334","0.0002","90","","98.412","0.002","90","","1121.28","0.03","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N12 P2 Pd2 -","- C12 H30 N12 P2 Pd2 -","- C24 H60 N24 P4 Pd4 -","2","0.5","","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","","0.0223","0.0217","","","0.0593","0.0596","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518219","7.7922","0.0001","11.736","0.0002","12.1887","0.0002","90","","105.424","0.002","90","","1074.5","0.03","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 P2 Pd2 -","- C16 H22 Cl4 P2 Pd2 -","- C32 H44 Cl8 P4 Pd4 -","2","0.5","","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","","0.0143","0.0141","","","0.0361","0.0363","","","","","","1.178","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518220","9.5404","0.0002","11.4408","0.0002","21.1667","0.0003","90","","90","","90","","2310.34","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Cl O P3 Pd -","- C20 H32 Cl O P3 Pd -","- C80 H128 Cl4 O4 P12 Pd4 -","4","1","","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","","0.015","0.0148","","","0.0381","0.0381","","","","","","1.088","","","","has coordinates","259505","2020-12-04","02:13:35",""
"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",""
"4518222","9.986","0.0002","11.4915","0.0002","17.4719","0.0003","78.881","0.002","86.644","0.002","71.922","0.002","1870.22","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H62 Cl2 P4 Pd2 -","- C30 H62 Cl2 P4 Pd2 -","- C60 H124 Cl4 P8 Pd4 -","2","1","","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","","0.0168","0.0157","","","0.043","0.0434","","","","","","1.033","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518223","8.2958","0.0013","11.681","0.003","12.753","0.003","88.841","0.006","89.295","0.006","71.562","0.006","1172.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2,4-dimethylphenyl)-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C26 H23 N3 O3 S -","- C26 H23 N3 O3 S -","- C52 H46 N6 O6 S2 -","2","1","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.0765","0.0506","","","0.1349","0.1519","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518224","17.8975","0.0013","11.9162","0.0008","41.526","0.003","90","","90","","90","","8856.3","1.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2E)-N-cyclohexyl-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C24 H25 N3 O3 S -","- C23.115 H23.3775 N3 O3 S -","- C369.84 H374.04 N48 O48 S16 -","16","2","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.1318","0.064","","","0.1427","0.1747","","","","","","1.023","","","","has coordinates,has disorder","259506","2020-12-04","02:13:46",""
"4518227","7.0293","0.0003","29.2917","0.0007","12.7862","0.0004","90","","99.495","0.003","90","","2596.61","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Ca2 O36 -","- C46 H54 Ca2 O36 -","- C92 H108 Ca4 O72 -","2","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0872","0.0791","","","0.1913","0.1969","","","","","","1.098","","","","has coordinates","259508","2020-12-04","02:14:09",""
"4518228","31.90641","0.00018","6.99799","0.00005","22.92769","0.00014","90","","95.6148","0.0006","90","","5094.75","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H53.62 O35 Zn2 -","- C46 H53.62 O35 Zn2 -","- C184 H214.48 O140 Zn8 -","4","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","","1.54184","CuKα","","0.0327","0.0304","","","0.0782","0.0797","","","","","","1.046","","","","has coordinates,has disorder","259508","2020-12-04","02:14:10",""
"4518229","7.3421","0.0001","10.3741","0.0001","16.8517","0.0002","100.899","0.001","98.916","0.001","93.556","0.001","1239.64","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","Cromolyn-Mg metal complex","","- C23 H26 Mg O17 -","- C23 H26 Mg O17 -","- C46 H52 Mg2 O34 -","2","1","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0482","0.0455","","","0.1224","0.1246","","","","","","1.039","","","","has coordinates","259508","2020-12-04","02:14:10",""
"4518230","18.3661","0.0016","16.0719","0.0014","27.117","0.003","90","","108.602","0.01","90","","7586.2","1.3","298","2","298","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","0.5","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0524","0.0387","","","0.0935","0.1047","","","","","","1.028","","","","has coordinates,has disorder","259507","2020-12-04","02:13:57",""
"4518231","10.7747","0.0008","15.4475","0.001","19.6421","0.0012","109.743","0.006","99.759","0.005","103.575","0.006","2878.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cu I N4 P -","- C29 H31 Cu I N4 P -","- C116 H124 Cu4 I4 N16 P4 -","4","2","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0786","0.0521","","","0.127","0.1555","","","","","","1.103","","","","has coordinates","259507","2020-12-04","02:13:57",""
"4518234","13.872","0.006","18.09","0.008","20.222","0.008","88.162","0.012","85.843","0.001","88.603","0.008","5057","4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C100 H208 F66 N32 O36 P6 Pd4 Pt8 Rh4 -","2","1","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1735","0.0925","","","0.1452","0.1771","","","","","","1.094","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518235","30.731","0.013","11.615","0.004","22.369","0.01","90","","128.996","0.005","90","","6205","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C144 H336 F72 N32 O32 P12 Pd4 Pt8 -","4","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1027","0.0699","","","0.1533","0.1729","","","","","","1.133","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518236","13.336","0.003","14.243","0.003","14.118","0.003","90","","97.164","0.003","90","","2660.7","1","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C56 H128 F24 N16 O24 P4 Pd2 Pt4 Rh4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.083","0.0544","","","0.1035","0.1191","","","","","","1.086","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518237","11.331","0.002","22.019","0.005","12.253","0.003","90","","95.145","0.003","90","","3044.8","1.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C72 H176 F24 N16 O20 P4 Pd2 Pt4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.044","0.0364","","","0.0955","0.1036","","","","","","1.123","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518279","13.2511","0.0019","13.2511","0.0019","23.039","0.005","90","","90","","120","","3503.5","1","373","2","373","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag9.02 O118.9 Si54 -","- Ag9.906 O118.8 Si54 -","- Ag9.906 O118.8 Si54 -","1","0.0277778","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0856","0.0778","","","0.2329","0.2395","","","","","","1.129","","","","has coordinates","260415","2021-01-04","03:06:23",""
"4518280","12.912","0.003","12.912","0.003","23.67","0.005","90","0.03","90","0.03","120","0.03","3417.6","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.75 O108 Si54 -","- Ag9.714 O108 Si54 -","- Ag9.714 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1102","0.0874","","","0.2285","0.2522","","","","","","1.127","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518281","12.9559","0.0018","12.9559","0.0018","23.611","0.005","90","","90","","120","","3432.3","1","498","2","498","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag9.54 O108.74 Si54 -","- Ag9.495 O108 Si54 -","- Ag9.495 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1254","0.0645","","","0.1685","0.1967","","","","","","0.908","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518282","13.2131","0.0003","13.2131","0.0003","23.2393","0.001","90","","90","","120","","3513.69","0.19","398","2","398","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag13.82 O121.24 Si54 -","- Ag14.886 O127.62 Si54 -","- Ag14.886 O127.62 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.085","0.0723","","","0.2013","0.2143","","","","","","1.113","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518283","13.3661","0.0004","13.3661","0.0004","22.6328","0.0008","90","","90","","120","","3501.7","0.19","323","2","323","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag3.41 O46.34 Si18 -","- Ag3.606 O46.368 Si18 -","- Ag10.818 O139.104 Si54 -","3","0.0833333","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.066","0.0597","","","0.1742","0.1805","","","","","","1.033","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518284","12.943","0.003","12.943","0.003","23.641","0.005","90","0.03","90","0.03","120","0.03","3429.8","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.8 O108 Si54 -","- Ag7.728 O108 Si54 -","- Ag7.728 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1092","0.0812","","","0.224","0.2508","","","","","","1.101","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518285","12.955","0.003","12.955","0.003","23.623","0.005","90","0.03","90","0.03","120","0.03","3433.5","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.98 O108 Si54 -","- Ag8.511 O108 Si54 -","- Ag8.511 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1198","0.0758","","","0.2118","0.2416","","","","","","1.092","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518286","13.115","0.0004","13.115","0.0004","23.4675","0.0013","90","","90","","120","","3495.7","0.2","423","2","423","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag11.41 O112.23 Si54 -","- Ag11.484 O112.77 Si54 -","- Ag11.484 O112.77 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0946","0.0862","","","0.2407","0.2491","","","","","","1.126","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518294","10.5561","0.0008","23.972","0.002","13.3418","0.0011","90","","92.033","0.002","90","","3374","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H32 Br2 Cl2 N4 O Pd -","- C32 H30 Br2 Cl2 N4 O Pd -","- C128 H120 Br8 Cl8 N16 O4 Pd4 -","4","1","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.1308","0.0716","","","0.1905","0.2298","","","","","","1.112","","","","has coordinates,has disorder","260413","2021-01-04","03:05:42",""
"4518295","16.2158","0.0006","18.1879","0.0007","9.2992","0.0004","90","","90","","90","","2742.63","0.19","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H35 Br2 N5 O Pd -","- C26 H31 Br2 N5 O Pd -","- C104 H124 Br8 N20 O4 Pd4 -","4","0.5","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.0473","0.0342","","","0.108","0.1299","","","","","","0.989","","","","has coordinates","260413","2021-01-04","03:05:43",""
"4518296","6.568","0.0003","11.6282","0.0005","23.0177","0.0009","75.5708","0.0013","83.3292","0.0016","78.5791","0.0015","1664.65","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0763","0.0408","","","0.096","0.112","","","","","","1.015","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518297","6.5588","0.0005","11.5965","0.0009","22.9328","0.0019","75.503","0.002","83.173","0.004","78.623","0.003","1651.1","0.2","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0729","0.0468","","","0.1207","0.1351","","","","","","1.056","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518298","6.5414","0.0003","11.5478","0.0004","22.833","0.0008","75.2496","0.0011","82.6125","0.0013","78.6305","0.0013","1629.61","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0535","0.035","","","0.0825","0.0914","","","","","","1.047","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518299","6.5356","0.0003","11.5341","0.0004","22.7933","0.0008","75.1696","0.001","82.3422","0.0013","78.4758","0.0012","1621.36","0.11","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0448","0.0332","","","0.0802","0.0865","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518300","6.5315","0.0003","11.5254","0.0004","22.771","0.0008","75.117","0.0011","82.1363","0.0013","78.3126","0.0013","1615.78","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0423","0.0331","","","0.0822","0.0878","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518301","6.5139","0.0005","11.5037","0.0008","22.7147","0.0015","75.0113","0.0018","81.627","0.002","77.828","0.002","1599.7","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0637","0.037","","","0.0686","0.0762","","","","","","1.053","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518302","6.6304","0.0002","21.0748","0.0007","23.9202","0.0007","90","","90.003","0.0013","90","","3342.47","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1429","0.0537","","","0.1049","0.1326","","","","","","1.031","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518303","6.6058","0.0003","21.0338","0.0009","23.8461","0.001","90","","90.0345","0.0019","90","","3313.3","0.2","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1535","0.0587","","","0.1067","0.1347","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518304","6.5928","0.0004","21.0139","0.0011","23.8126","0.0012","90","","90.045","0.002","90","","3299","0.3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1544","0.0611","","","0.1089","0.1361","","","","","","1.03","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518305","6.5696","0.0004","20.9644","0.0011","23.7521","0.0013","90","","90.06","0.002","90","","3271.3","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1438","0.0621","","","0.1216","0.1494","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518306","6.5457","0.0006","15.7693","0.0012","16.544","0.0013","80.615","0.003","78.588","0.003","78.062","0.003","1624.4","0.2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1361","0.0786","","","0.2228","0.2574","","","","","","1.045","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518307","6.5348","0.0006","15.7451","0.0013","16.5205","0.0013","80.633","0.003","78.662","0.003","78.214","0.004","1618.1","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1366","0.0865","","","0.2461","0.2808","","","","","","1.06","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518308","6.5234","0.0006","15.7418","0.0013","16.5027","0.0013","80.546","0.003","78.61","0.003","78.031","0.003","1611.7","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1253","0.0795","","","0.2308","0.2611","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518309","6.519","0.0006","15.7324","0.0013","16.4956","0.0013","80.55","0.003","78.591","0.003","78.079","0.003","1609.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1256","0.0816","","","0.2297","0.2571","","","","","","1.055","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518310","6.5067","0.0005","15.7132","0.0011","16.4758","0.0012","80.514","0.003","78.597","0.003","78.097","0.003","1602.2","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1181","0.0789","","","0.1999","0.2226","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518311","6.4984","0.0005","15.701","0.0011","16.4654","0.0012","80.51","0.003","78.607","0.003","78.086","0.003","1597.9","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1177","0.0816","","","0.2193","0.2425","","","","","","1.035","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518312","6.4946","0.0005","15.6923","0.0011","16.4564","0.0011","80.465","0.003","78.618","0.003","78.041","0.003","1594.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1063","0.0799","","","0.2238","0.2456","","","","","","1.062","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518313","6.6281","0.0002","21.0702","0.0006","23.9189","0.0007","90","","90.0073","0.0013","90","","3340.4","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1455","0.0529","","","0.104","0.1346","","","","","","1.014","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518317","5.7103","0.0001","14.1241","0.0004","21.931","0.0006","90","","90","","90","","1768.8","0.08","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-10r","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0436","0.0377","","","0.116","0.1223","","","","","","0.958","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518318","22.1472","0.0019","6.7744","0.0006","11.9744","0.001","90","","113.721","0.003","90","","1644.8","0.2","125","2","125","2","","","","","","","","5","C 1 2 1","C 2y","5","(+)-3e","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0514","0.037","","","0.0794","0.0857","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518323","38.8146","0.0015","38.8146","0.0015","11.1146","0.0004","90","","90","","120","","14501.6","0.9","273","2","273","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C414 H204 O232 Tb30 -","- C414 H162 O232.5 Tb30 -","- C414 H162 O232.5 Tb30 -","1","0.111111","","Chai, Hong-mei; Zhang, Gang-qiang; Jiao, Chun-xia; Ren, Yi-xia; Gao, Lou-jun","A Multifunctional Tb-MOF Detector for H2O2, Fe3+, Cr2O72‒, and TPA Explosive Featuring Coexistence of Binuclear and Tetranuclear Clusters","ACS Omega","2020","5","51","33039","33046","10.1021/acsomega.0c04526","","","0.71073","MoKα","","0.0351","0.034","","","0.1143","0.1153","","","","","","1.032","","","","has coordinates","260410","2021-01-04","03:04:12",""
"4518324","11.414","0.0014","10.9106","0.0009","9.0833","0.0011","90","","100.36","0.012","90","","1112.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 O4 -","- C11 H8 N4 O4 -","- C44 H32 N16 O16 -","4","1","","Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Piksin, Sergey E.; Sosnovskikh, Vyacheslav Y.","2,6-Dicyano-4-pyrone as a Novel and Multifarious Building Block for the Synthesis of 2,6-Bis(hetaryl)-4-pyrones and 2,6-Bis(hetaryl)-4-pyridinols","ACS Omega","2020","5","51","33406","33420","10.1021/acsomega.0c05357","","x-ray","0.71073","MoKα","","0.1361","0.0704","","","0.1705","0.2384","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518947","9.3946","0.0004","2.764","0.0001","11.0804","0.0005","90","","94.233","0.004","90","","286.94","0.02","","","298","","","","100","","","","","7","C 1 2/m 1","-C 2y","12","(Mg,Fe)5Si2O9","","elgoresyite","- Al0.05 Ca0.02 Fe1.6 Mg3.38 Na0.03 O9 Si1.95 -","- Fe0.99 Mg3.41 O9 Si2.6 -","- Fe1.98 Mg6.82 O18 Si5.2 -","2","0.25","","Bindi, L.; Bykova, E.; Ovsyannikov, S.V.; McCammon, C.; Kupenko, I.; Ismailova, L.; Dubrovinsky, L.; Xie, X.","Discovery of Elgoresyite, (Mg,Fe)5Si2O9: Implications for novel iron-magnesium silicates in rocky planetary interiors","ACS Earth and Space Chemistry","2021","5","","2124","2130","10.1021/acsearthspacechem.1c00157","","","","","","","","","","","","","","","","","","","","","has coordinates","268214","2021-08-25","23:08:11",""
"4519435","17.4712","0.0005","11.0286","0.0003","17.8449","0.0005","90","","111.32","0.001","90","","3203.1","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 Co N22 O8 -","- C22 H22 Cl2 Co N22 O8 -","- C88 H88 Cl8 Co4 N88 O32 -","4","1","","Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong","Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes","ACS Applied Energy Materials","2022","5","","11077","11090","10.1021/acsaem.2c01702","","x-ray","1.34139","GaKα","","0.0437","0.0396","","","0.1027","0.1064","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","280036","2022-12-24","20:12:02",""
"4519436","18.678","0.0008","10.7344","0.0004","16.0745","0.0007","90","","98.829","0.001","90","","3184.7","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl2 N22 Ni O8 -","- C22 H22 Cl2 N22 Ni O8 -","- C88 H88 Cl8 N88 Ni4 O32 -","4","0.5","","Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong","Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes","ACS Applied Energy Materials","2022","5","","11077","11090","10.1021/acsaem.2c01702","","x-ray","1.34139","GaKα","","0.0488","0.0487","","","0.1266","0.1268","","","","","","1.105","","","","has coordinates,has Fobs","280037","2022-12-24","20:12:15",""
"4519515","2.87086","0.00017","2.87086","0.00017","2.87086","0.00017","90","","90","","90","","23.661","0.002","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","α-Iron","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Sanchez-Perez, Clara; Knapp, Caroline E; Colman, Ross H; Sotelo-Vazquez, Carlos; Sathasivam,Sanjayan; Oilunkaniemi, Raija; Laitinen, Risto S.; Carmalt, Claire J.","Iron-intercalated zirconium diselenide thin films from the low-pressure chemical vapor deposition of[Fe(η^5-C_5H_4Se)_2Zr(η^5-C_5H_5)_2]_2","ACS Omega","2020","5","","15799","","10.1021/acsomega.0c00413","","","","","","","","","","","","","","","","","","","","","has coordinates","303191","2025-11-05","08:52:04",""
"6000243","12.3345","","8.523","","5.1397","","90","","102.572","","90","","527.37","","","","","","","","","","","","","3","C 1 2/c 1","","","","","","- N7 Na P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000244","12.2387","","9.8485","","4.6651","","90","","90","","90","","562.3","","","","","","","","","","","","","3","P n m a","","","","","","- K N7 P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000245","12.3107","","9.8946","","4.6844","","90","","90","","90","","570.6","","","","","","","","","","","","","3","P n m a","","","","","","- N7 P4 Rb -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000246","12.4205","","9.9782","","4.7162","","90","","90","","90","","584.5","","","","","","","","","","","","","3","P n m a","","","","","","- Cs N7 P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000675","9.791","","8.848","","6.834","","90","","107.8","","90","","563.69","","","","","","","","","","","","","3","C 1 2/m 1","","","","","","- Cr O4 V -","","","","","","Touboul, M.; Melghit, K.","Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V)","Journal of Materials Chemistry","1995","5","","147","150","10.1039/jm9950500147","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000676","8.277","","9.291","","7.527","","90","","109.26","","90","","546.44","","","","","","","","","","","","","3","?","","","","","","- Cr2 O13 V4 -","","","","","","Touboul, M.; Melghit, K.","Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V)","Journal of Materials Chemistry","1995","5","","147","150","10.1039/jm9950500147","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7112106","5.975","0.0002","11.69","0.0003","23.785","0.0005","90","","90","","90","","1661.33","0.08","200","","","","","","","","","","Laboratory at AlderleyPark Ba 001 isomer 2, crystallised from diethyl ether by evaporation","5","P 21 21 21","P 2ac 2ab","19","AZ12576722, AZ SBBG: 2006-10-306","(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","McCoull, William; Augustin, Martin; Blake, Caroline; Ertan, Anne; Kilgour, Elaine; Krapp, Stephan; Moore, Jane E.; Newcombe, Nicholas J.; Packer, Martin J.; Rees, Amanda; Revill, John; Scott, James S.; Selmi, Nidhal; Gerhardt, Stefan; Ogg, Derek J.; Steinbacher, Stefan; Whittamore, Paul R. O.","Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1)","MedChemComm","2014","5","1","57","","10.1039/c3md00234a","","","0.71073","MoKα","","0.0549","0.037","","","0.0883","0.0941","","","","","","1.054","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7113096","8.7795","0.0005","11.4369","0.0008","12.4788","0.0008","102.414","0.006","100.722","0.005","102.556","0.005","1158.28","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 F4 N O3 S -","- C26 H19 F4 N O3 S -","- C52 H38 F8 N2 O6 S2 -","2","1","","Thakur, Anuj; Manohar, Sunny; Vélez Gerena, Christian E.; Zayas, Beatriz; Kumar, Vineet; Malhotra, Sanjay V.; Rawat, Diwan S.","Novel 3,5-bis(arylidiene)-4-piperidone based monocarbonyl analogs of curcumin: anticancer activity evaluation and mode of action study","MedChemComm","2014","5","5","576","","10.1039/c3md00399j","","","0.71073","MoKα","","0.0999","0.0611","","","0.1028","0.1156","","","","","","1.044","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7113097","16.2535","0.0011","7.7798","0.0004","22.0549","0.0014","90","","107.949","0.008","90","","2653.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl2 N4 O4 Ru -","- C26 H27 Cl2 N4 O4 Ru -","- C104 H108 Cl8 N16 O16 Ru4 -","4","1","","Fan, Cundong; Wu, Qiong; Chen, Tianfeng; Zhang, Yibo; Zheng, Wenjie; Wang, Qi; Mei, Wenjie","Arene ruthenium(ii) complexes induce S-phase arrest in MG-63 cells through stabilization of c-Myc G-quadruplex DNA","MedChemComm","2014","5","5","597","","10.1039/c3md00367a","","","0.71073","MoKα","","0.0768","0.0592","","","0.1503","0.165","","","","","","1.098","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113299","9.0724","0.0002","11.4713","0.0003","13.9904","0.0003","90","","100.651","0.0013","90","","1430.93","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N5 O -","- C13 H23 N5 O -","- C52 H92 N20 O4 -","4","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.032","0.0302","","","0.0748","0.0764","","","","","","1.033","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7113300","6.5462","0.0002","9.257","0.0002","10.5529","0.0003","65.9412","0.001","81.5752","0.0011","89.9391","0.0011","576.41","0.03","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 N5 O -","- C11 H17 N5 O -","- C22 H34 N10 O2 -","2","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.0312","0.0303","","","0.0765","0.0774","","","","","","1.05","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7113301","26.6036","0.0006","6.3028","0.0001","15.4666","0.0003","90","","109.781","0.0009","90","","2440.37","0.08","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N5 O1.5 -","- C10 H18 N5 O1.5 -","- C80 H144 N40 O12 -","8","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.0385","0.0348","","","0.0887","0.0911","","","","","","1.049","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7113302","9.9162","0.0003","11.9389","0.0003","21.5252","0.0007","90","","90","","90","","2548.34","0.13","123","1","123","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N5 O -","- C12 H19 N5 O -","- C96 H152 N40 O8 -","8","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.0407","0.0359","","","0.0959","0.0994","","","","","","1.082","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7113303","7.3534","0.0003","25.5994","0.0008","9.1479","0.0003","90","","95.024","0.002","90","","1715.41","0.1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","2","","Humphrey, John M.; Yang, Eddie; Ende, Christopher W. am; Arnold, Eric P.; Head, Jenna L.; Jenkinson, Stephen; Lebel, Lorraine A.; Liras, Spiros; Pandit, Jayvardhan; Samas, Brian; Vajdos, Felix; Simons, Samuel P.; Evdokimov, Artem; Mansour, Mahmoud; Menniti, Frank S.","Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1","MedChemComm","2014","5","9","1290","","10.1039/C4MD00113C","","","1.54178","CuKα","","0.0617","0.0502","","","0.1445","0.1637","","","","","","1.122","","","","has coordinates","301857","2025-08-21","22:47:19",""
"7115261","6.0562","0.0005","8.3474","0.0007","14.3363","0.0012","80.2127","0.0011","88.9452","0.0011","84.4944","0.0011","710.91","0.1","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H12 N4 O7 S -","- C11 H12 N4 O7 S -","- C22 H24 N8 O14 S2 -","2","2","","Li, Jing; Lowary, Todd L.","Sulfonium ions as inhibitors of the mycobacterial galactofuranosyltransferase GlfT2","MedChemComm","2014","5","8","1130","","10.1039/C4MD00067F","","","0.71073","MoKα","","0.0338","0.0322","","","0.0839","0.0853","","","","","","1.041","","","","has coordinates","301857","2025-08-21","22:47:22",""
"7151038","7.2761","0.0003","19.4524","0.0008","36.24","0.001","90","","90","","90","","5129.3","0.3","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Ter Wiel, Matthijs K. J.; Kwit, Marcin G.; Meetsma, Auke; Feringa, Ben L.","Synthesis, stereochemistry, and photochemical and thermal behaviour of bis-tert-butyl substituted overcrowded alkenes.","Organic & biomolecular chemistry","2007","5","1","87","96","10.1039/b611070c","","","0.71073","MoKα","","0.0675","0.0475","","","0.1124","0.123","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151039","9.7582","0.0006","14.4454","0.0008","17.915","0.001","90","","90","","90","","2525.3","0.3","100","1","100","1","","","","","","","see text","2","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 -","- C34 H36 -","- C136 H144 -","4","1","","Ter Wiel, Matthijs K. J.; Kwit, Marcin G.; Meetsma, Auke; Feringa, Ben L.","Synthesis, stereochemistry, and photochemical and thermal behaviour of bis-tert-butyl substituted overcrowded alkenes.","Organic & biomolecular chemistry","2007","5","1","87","96","10.1039/b611070c","","","0.71073","MoKα","","0.0396","0.0341","","","0.0818","0.0838","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151040","25.345","0.017","6.038","0.004","12.627","0.01","90","","104.129","0.018","90","","1874","2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(1R*,3S*,6R*)-methyl-2,2-dimethyl-5-oxo-4,7- dioxabicyclo(4.1.0) heptane-3-carboxylate","(1R*,3S*,6R*)-methyl-2,2-dimethyl-5-oxo-4,7-dioxabicyclo[4.1.0] heptane-3-carboxylate","","- C9 H12 O5 -","- C9 H12 O5 -","- C72 H96 O40 -","8","1","","Waller, David L.; Stephenson, Corey R. J.; Wipf, Peter","Spiroketals via oxidative rearrangement of enol ethers.","Organic & biomolecular chemistry","2007","5","1","58","60","10.1039/b612992g","","","0.71073","MoKα","","0.1859","0.1225","","","0.2742","0.3053","","","","","","1.132","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151041","8.849","0.002","15.512","0.003","8.0902","0.0017","90","","101.154","0.019","90","","1089.5","0.4","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1R*,3S*,5S*,6R*)-methyl-5-hydroxy-2,2,5-trimethyl-4,7- dioxabicyclo(4.1.0)heptane-3-carboxylate","(1R*,3S*,5S*,6R*)-methyl-5-hydroxy-2,2,5-trimethyl-4,7- dioxabicyclo[4.1.0]heptane-3-carboxylate","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Waller, David L.; Stephenson, Corey R. J.; Wipf, Peter","Spiroketals via oxidative rearrangement of enol ethers.","Organic & biomolecular chemistry","2007","5","1","58","60","10.1039/b612992g","","","0.71073","MoKα","","0.0959","0.0567","","","0.1245","0.1445","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151042","11.581","0.0004","14.4762","0.0005","17.7027","0.0007","90","","90","","90","","2967.84","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N7 O6 -","- C31 H33 N7 O6 -","- C124 H132 N28 O24 -","4","1","","Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason","Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","239","248","10.1039/b613384n","","x-ray","0.71073","MoKα","","0.0891","0.045","","","0.0771","0.0903","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151043","5.1589","0.0002","10.5387","0.0005","7.4162","0.0004","90","","93.901","0.003","90","","402.27","0.03","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl N4 O -","- C5 H11 Cl N4 O -","- C10 H22 Cl2 N8 O2 -","2","1","","Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason","Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","239","248","10.1039/b613384n","","x-ray","0.71073","MoKα","","0.0502","0.0372","","","0.0657","0.0692","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151044","7.7564","0.0009","13.3948","0.0009","25.589","0.003","90","","90","","90","","2658.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N7 O6 -","- C24 H35 N7 O6 -","- C96 H140 N28 O24 -","4","1","","Worthington, Roberta J.; O'Rourke, Adam P; Morral, Jordi; Tan, T. H. Samuel; Micklefield, Jason","Mixed-sequence pyrrolidine-amide oligonucleotide mimics: Boc(Z) synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","249","259","10.1039/b613386j","","x-ray","0.71073","MoKα","","0.2379","0.0956","","","0.2102","0.3014","","","","","","1.02","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151045","4.9735","0.0007","10.531","0.002","17.521","0.003","90","","90","","90","","917.7","0.3","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl O -","- C10 H11 Cl O -","- C40 H44 Cl4 O4 -","4","1","","Haak, Robert M.; Tarabiono, Chiara; Janssen, Dick B.; Minnaard, Adriaan J.; de Vries, Johannes G.; Feringa, Ben L.","Synthesis of enantiopure chloroalcohols by enzymatic kinetic resolution.","Organic & biomolecular chemistry","2007","5","2","318","323","10.1039/b613937j","","","0.71073","MoKα","","0.0337","0.0311","","","0.0687","0.0698","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151046","4.6405","0.0007","25.329","0.004","12.191","0.0017","90","","97.047","0.002","90","","1422.1","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Bowman, W. Russell; Elsegood, Mark R. J.; Stein, Tobias; Weaver, George W.","Radical reactions with 3H-quinazolin-4-ones: synthesis of deoxyvasicinone, mackinazolinone, luotonin A, rutaecarpine and tryptanthrin.","Organic & biomolecular chemistry","2007","5","1","103","113","10.1039/b614075k","","","0.71073","MoKα","","0.0837","0.0602","","","0.1444","0.159","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151047","6.6511","0.0003","8.6274","0.0003","14.5395","0.0007","90.123","0.002","94.525","0.003","99.594","0.003","819.97","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Cl3 N2 O3 -","- C17 H11 Cl3 N2 O3 -","- C34 H22 Cl6 N4 O6 -","2","1","","Bowman, W. Russell; Elsegood, Mark R. J.; Stein, Tobias; Weaver, George W.","Radical reactions with 3H-quinazolin-4-ones: synthesis of deoxyvasicinone, mackinazolinone, luotonin A, rutaecarpine and tryptanthrin.","Organic & biomolecular chemistry","2007","5","1","103","113","10.1039/b614075k","","","0.71073","MoKα","","0.055","0.0353","","","0.0851","0.0939","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151048","22.77","0.003","7.5283","0.0011","19.57","0.003","90","","111.923","0.012","90","","3112.1","0.8","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Cl3 Fe2 N2 -","- C37 H25 Cl3 Fe2 N2 -","- C148 H100 Cl12 Fe8 N8 -","4","1","","Schmittel, Michael; Kishore, Ravuri S. K.; Bats, Jan W.","Synthesis of supramolecular fullerene-porphyrin-Cu(phen)(2)-ferrocene architectures. A heteroleptic approach towards tetrads.","Organic & biomolecular chemistry","2007","5","1","78","86","10.1039/b614111k","","","0.71073","MoKα","","0.0947","0.0517","","","0.1221","0.1434","","","","","","1.024","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151049","8.6316","0.0002","14.8772","0.0003","14.4589","0.0003","90","","95.3308","0.0011","90","","1848.7","0.07","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 N O5 -","- C21 H15 Cl2 N O5 -","- C84 H60 Cl8 N4 O20 -","4","1","","Ando, Kumiko; Akai, Yukiko; Kunitomo, Jun-Ichi; Yokomizo, Takehiko; Nakajima, Hidemitsu; Takeuchi, Tadayoshi; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka","Synthesis and biological activities of novel furo[2,3,4-jk][2]benzazepin-4(3H)-one derivatives.","Organic & biomolecular chemistry","2007","5","4","655","663","10.1039/b614510h","","","1.54187","CuKα","","","0.058","","","","0.1675","","","","","","0.977","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151050","9.576","0.002","20.504","0.005","10.143","0.003","90","","112.421","0.011","90","","1841","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5R,6S)-N-(2',3',4'-Tri-O-pivaloyl-a-d-arabinopyranosyl)-5,6-diallyl- 2-isopropyl-piperidin-4-one","","- C34 H55 N O8 -","- C34 H55 N O8 -","- C68 H110 N2 O16 -","2","1","","Kranke, Birgit; Kunz, Horst","Stereoselective syntheses of piperidinones and their modification by organometallic coupling reactions.","Organic & biomolecular chemistry","2007","5","2","349","354","10.1039/b615113b","","","1.54178","CuKα","","0.0604","0.0562","","","0.1633","0.1696","","","","","","1.029","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7151051","8.8832","0.0012","10.3813","0.0015","12.0879","0.0017","81.631","0.002","81.67","0.002","78.225","0.002","1072","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C48 H66 N2 O8 -","2","1","","McErlean, Christopher S. P.; Proisy, Nicolas; Davis, Christopher J.; Boland, Nicola A.; Sharp, Swee Y.; Boxall, Kathy; Slawin, Alexandra M. Z.; Workman, Paul; Moody, Christopher J.","Synthetic ansamycins prepared by a ring-expanding Claisen rearrangement. Synthesis and biological evaluation of ring and conformational analogues of the Hsp90 molecular chaperone inhibitor geldanamycin.","Organic & biomolecular chemistry","2007","5","3","531","546","10.1039/b615378j","","","0.71073","MoKα","","0.0834","0.0681","","","0.1683","0.1813","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151052","8.4729","0.0001","8.9346","0.0001","15.8498","0.0003","88.5376","0.0006","80.8585","0.0006","83.8057","0.0006","1177.66","0.03","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N3 Si -","- C24 H33 N3 Si -","- C48 H66 N6 Si2 -","2","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines–carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0426","0.0374","","","0.1003","0.1039","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151053","9.617","0.0008","12.462","0.001","25.214","0.002","88.322","0.002","84.261","0.002","79.785","0.002","2958.8","0.4","133","","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H45 N3 Si -","- C30 H45 N3 Si -","- C120 H180 N12 Si4 -","4","2","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.1118","0.0552","","","0.1109","0.1269","","","","","","0.895","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151054","9.8042","0.0001","11.0624","0.0002","11.6724","0.0002","90","","112.329","0.0007","90","","1171.04","0.03","173","","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C44 H84 N12 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines–carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0462","0.0378","","","0.0936","0.0981","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151055","7.5606","0.0002","16.9628","0.0004","9.1745","0.0002","90","","92.2557","0.0008","90","","1175.71","0.05","173","","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C44 H84 N12 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines–carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0326","0.0296","","","0.0657","0.0673","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151056","10.3194","0.0011","8.4799","0.0009","12.1497","0.0013","90","","106.293","0.002","90","","1020.49","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 -","- C9 H17 N3 -","- C36 H68 N12 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0693","0.0496","","","0.1191","0.1279","","","","","","1.028","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151057","11.259","0.002","9.8467","0.0018","18.752","0.003","90","","103.035","0.006","90","","2025.4","0.6","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 N3 Si2 -","- C15 H33 N3 Si2 -","- C60 H132 N12 Si8 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0807","0.0633","","","0.1509","0.1581","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151058","14.995","0.002","15.949","0.002","17.6433","0.0004","68.348","0.01","71.33","0.01","88.86","0.01","3692.2","0.8","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H100 N22 O6 -","- C69 H100 N22 O6 -","- C138 H200 N44 O12 -","2","1","","Kondo, Shin-Ichi; Hayashi, Tomohiro; Sakuno, Yuichi; Takezawa, Yoko; Yokoyama, Takashi; Unno, Masafumi; Yano, Yumihiko","Synthesis of cyclic bis- and trismelamine derivatives and their complexation properties with barbiturates.","Organic & biomolecular chemistry","2007","5","6","907","916","10.1039/b615537e","","","0.7107","MoKα","","0.1391","0.0836","","","0.2003","0.2368","","","","","","0.83","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151059","8.578","0.0009","9.477","0.0009","9.818","0.001","88.558","0.004","89.264","0.004","73.154","0.004","763.64","0.13","273.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo","Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones.","Organic & biomolecular chemistry","2007","5","2","286","300","10.1039/b615702e","","","0.7107","MoKα","","","0.1188","","","","0.4316","","","","","","1.936","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151060","12.301","0.0004","11.053","0.0003","13.202","0.0004","90","","112.715","0.001","90","","1655.76","0.09","273.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo","Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones.","Organic & biomolecular chemistry","2007","5","2","286","300","10.1039/b615702e","","","0.7107","MoKα","","","0.0741","","","","0.2924","","","","","","1.465","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151061","9.893","0.0003","11.174","0.0002","19.187","0.0007","85.225","0.001","77.416","0.001","68.107","0.001","1920.77","0.1","273.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O6 -","- C19 H28 O6 -","- C76 H112 O24 -","4","2","","Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo","Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones.","Organic & biomolecular chemistry","2007","5","2","286","300","10.1039/b615702e","","","0.7107","MoKα","","","0.1225","","","","0.4492","","","","","","2.132","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151062","18.967","0.003","12.7861","0.0018","19.491","0.003","90","","96.878","0.002","90","","4692.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","05263","","","- C22 H35 N O4 Si -","- C22 H35 N O4 Si -","- C176 H280 N8 O32 Si8 -","8","2","","Ko, Changhong; Hsung, Richard P.","An unusual stereoselectivity in the anomeric substitution with carbamates promoted by HNTf2.","Organic & biomolecular chemistry","2007","5","3","431","434","10.1039/b615725d","","","0.71073","MoKα","","0.1338","0.0697","","","0.1745","0.2237","","","","","","1.022","","","","has coordinates","180296","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","301861","2025-08-22","11:11:48",""
"7151064","5.148","0.0001","15.808","0.0003","21.3073","0.0005","90","","90","","90","","1733.98","0.06","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O2 -","- C20 H20 Cl N O2 -","- C80 H80 Cl4 N4 O8 -","4","1","","Chen, Wei; Du, Wei; Yue, Lei; Li, Rui; Wu, Yong; Ding, Li-Sheng; Chen, Ying-Chun","Organocatalytic enantioselective indole alkylations of alpha,beta-unsaturated ketones.","Organic & biomolecular chemistry","2007","5","5","816","821","10.1039/b616504d","","","0.71073","MoKα","","0.0302","0.0296","","","0.0778","0.0782","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151065","8.8615","0.0012","24.322","0.003","11.2807","0.0016","90","","111.633","0.002","90","","2260.1","0.5","87","2","87","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(R2PdCl2)(NTf)2","","","- C30 H36 Cl2 F12 N8 O8 Pd S4 -","- C30 H36 Cl2 F12 N8 O8 Pd S4 -","- C60 H72 Cl4 F24 N16 O16 Pd2 S8 -","2","0.5","","Ruihu Wang; Ji-Chang Xiao; Brendan Twamley; Jean'ne M. Shreeve","Efficient Heck reactions catalyzed by a highly recyclable palladium(II) complex of a pyridyl-functionalized imidazolium-based ionic liquid.","Organic & biomolecular chemistry","2007","5","4","671","678","10.1039/b616529j","","","0.71073","MoKα","","0.0412","0.0382","","","0.0849","0.0864","","","","","","1.081","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151066","8.2761","0.0017","10.042","0.002","15.189","0.003","74.44","0.03","81.7","0.03","82.47","0.03","1197.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","2","","Cox, Russell J.; Evitt, Andrew S.","Acyl palladium species in synthesis: single-step synthesis of alpha,beta-unsaturated ketones from acid chlorides.","Organic & biomolecular chemistry","2007","5","2","229","232","10.1039/b616582f","","","0.71073","MoKα","","0.1605","0.1222","","","0.2105","0.2285","","","","","","1.482","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151067","7.6506","0.0008","18.5206","0.0018","8.4687","0.0008","90","","110.451","0.005","90","","1124.3","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-dimethylamino-4-methylcarbonyl- 1-thia-6-oxa-6aλ4-seleno-3-azapentalene","","- C9 H12 N2 O2 S Se -","- C9 H12 N2 O2 S Se -","- C36 H48 N8 O8 S4 Se4 -","4","1","","Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu","The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole.","Organic & biomolecular chemistry","2007","5","4","613","616","10.1039/b617097h","","","0.71073","MoKα","","0.0267","0.0224","","","0.056","0.0582","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151068","7.6627","0.0008","18.4638","0.0018","8.3775","0.0008","90","","110.288","0.005","90","","1111.74","0.19","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Diacetylmethylidene-5-dimethylamino-3H-1,2,4-dithiazole","","- C9 H12 N2 O2 S2 -","- C9 H12 N2 O2 S2 -","- C36 H48 N8 O8 S8 -","4","1","","Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu","The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole.","Organic & biomolecular chemistry","2007","5","4","613","616","10.1039/b617097h","","","0.71069","MoKα","","0.0412","0.032","","","0.0802","0.0845","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151069","10.1624","0.001","7.4766","0.0007","14.124","0.0014","90","","111.027","0.005","90","","1001.69","0.17","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Thiocarbamate thioanhydride","","","- C6 H12 N2 S1.97 Se1.03 -","- C6 H12 N2 S1.971 Se1.029 -","- C24 H48 N8 S7.884 Se4.116 -","4","1","","Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu","The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole.","Organic & biomolecular chemistry","2007","5","4","613","616","10.1039/b617097h","","","0.71073","MoKα","","0.0277","0.0236","","","0.0475","0.0486","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151070","18.383","0.002","9.9133","0.0012","23.371","0.003","90","","106.34","0.02","90","","4087","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.75 H18.5 N3 O4.25 -","- C21.75 H18.5 N3 O4.25 -","- C174 H148 N24 O34 -","8","1","","Tu, Shujiang; Zhang, Junyong; Jia, Runhong; Jiang, Bo; Zhang, Yan; Jiang, Hong","An efficient route for the synthesis of a new class of pyrido[2,3-d]pyrimidine derivatives.","Organic & biomolecular chemistry","2007","5","9","1450","1453","10.1039/b617201f","","","0.71073","MoKα","","0.1575","0.0641","","","0.1565","0.2072","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151071","10.024","0.0017","10.7729","0.0018","11.1615","0.0019","81.47","0.002","89.328","0.002","69.72","0.002","1117.1","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H27 N -","- C30 H27 N -","- C60 H54 N2 -","2","1","","Yan, Chao-Guo; Cai, Xi-Mei; Wang, Qi-Fang; Wang, Ting-Yu; Zheng, Ming","Microwave-assisted four-component, one-pot condensation reaction: an efficient synthesis of annulated pyridines.","Organic & biomolecular chemistry","2007","5","6","945","951","10.1039/b617256c","","","0.71073","MoKα","","0.0761","0.0487","","","0.1207","0.1358","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151072","10.7313","0.0014","10.8332","0.0014","17.189","0.002","91.122","0.002","101.774","0.002","99.739","0.002","1925","0.4","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H42 N2 -","- C52 H42 N2 -","- C104 H84 N4 -","2","1","","Yan, Chao-Guo; Cai, Xi-Mei; Wang, Qi-Fang; Wang, Ting-Yu; Zheng, Ming","Microwave-assisted four-component, one-pot condensation reaction: an efficient synthesis of annulated pyridines.","Organic & biomolecular chemistry","2007","5","6","945","951","10.1039/b617256c","","","0.71073","MoKα","","0.111","0.0619","","","0.1548","0.1796","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151073","4.6327","0.0011","24.041","0.006","12.808","0.003","90","","91.977","0.005","90","","1425.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N O2 -","- C16 H15 F2 N O2 -","- C64 H60 F8 N4 O8 -","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","","0.1162","0.0527","","","0.1144","0.1373","","","","","","0.807","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151074","8.9925","0.0009","16.8092","0.0018","18.0165","0.0019","75.543","0.002","89.972","0.002","83.735","0.002","2620.3","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F2 N O -","- C15 H13 F2 N O -","- C120 H104 F16 N8 O8 -","8","4","","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","","0.1375","0.0535","","","0.1086","0.1374","","","","","","0.851","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151075","19.88","0.003","9.8369","0.0016","15.11","0.002","90","","90","","90","","2954.9","0.8","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H18 F2 N2 O -","- C17 H18 F2 N2 O -","- C136 H144 F16 N16 O8 -","8","2","","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","","0.1157","0.0547","","","0.1219","0.1632","","","","","","0.916","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151076","4.6438","0.0013","13.421","0.004","23.018","0.007","90","","92.683","0.006","90","","1433","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F2 N2 O3 -","- C15 H12 F2 N2 O3 -","- C60 H48 F8 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","","0.0598","0.0407","","","0.1011","0.1108","","","","","","0.981","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151077","4.7498","0.001","10.856","0.002","26.289","0.006","90","","92.256","0.004","90","","1354.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","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","","0.0861","0.0435","","","0.1098","0.1338","","","","","","0.889","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151078","12.822","0.004","11.499","0.003","9.804","0.002","90","","103.84","0.02","90","","1403.5","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","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","","0.0633","0.0474","","","0.1119","0.1284","","","","","","0.908","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151079","4.7538","0.0019","10.885","0.007","30.402","0.012","90","","91.1","0.04","90","","1572.9","1.3","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F5 N2 O -","- C17 H15 F5 N2 O -","- C68 H60 F20 N8 O4 -","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","","0.3101","0.0588","","","0.1071","0.1584","","","","","","0.69","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151080","4.6658","0.0008","13.056","0.002","13.473","0.002","63.577","0.003","85.102","0.003","84.119","0.003","730.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F5 N2 O3 -","- C15 H9 F5 N2 O3 -","- C30 H18 F10 N4 O6 -","2","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","","0.0631","0.0429","","","0.1124","0.1266","","","","","","0.888","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151081","4.7637","0.0011","10.695","0.003","14.616","0.004","90","","96.579","0.005","90","","739.7","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F5 N O2 -","- C16 H12 F5 N O2 -","- C32 H24 F10 N2 O4 -","2","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","","0.0723","0.0463","","","0.1058","0.1181","","","","","","0.917","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151082","9.181","0.009","19.2","0.02","19.68","0.02","90","","90","","90","","3469","6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C152 H192 N16 O8 -","8","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","","0.1752","0.0727","","","0.1497","0.1921","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151083","22.145","0.003","4.8085","0.0006","14.617","0.0018","90","","95.725","0.003","90","","1548.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 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","","0.2274","0.059","","","0.1152","0.191","","","","","","0.794","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151084","15.067","0.0017","12.8503","0.0014","15.5065","0.0017","90","","105.241","0.002","90","","2896.7","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","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","","0.0759","0.0507","","","0.1335","0.1419","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151085","4.634","0.003","12.208","0.006","29.098","0.016","90","","92.433","0.011","90","","1644.6","1.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O5 -","- C17 H17 N3 O5 -","- C68 H68 N12 O20 -","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","","0.3382","0.0754","","","0.1585","0.2433","","","","","","0.766","","","","has coordinates","301861","2025-08-22","11:11:48",""
"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","301861","2025-08-22","11:11:48",""
"7151087","11.1542","0.001","8.497","0.0007","31.528","0.003","90","","95.122","0.002","90","","2976.2","0.5","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 F5 N O -","- C16 H12 F5 N O -","- C128 H96 F40 N8 O8 -","8","4","","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","","0.0919","0.0502","","","0.1172","0.1371","","","","","","1.023","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151088","15.436","0.008","11.833","0.006","16.617","0.009","90","","111.728","0.009","90","","2820","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 N2 O4 -","- C28 H34 Cl2 N2 O4 -","- C112 H136 Cl8 N8 O16 -","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","","0.2092","0.095","","","0.2357","0.2908","","","","","","0.866","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151089","7.123","0.003","16.792","0.008","13.785","0.007","90","","102.881","0.009","90","","1607.3","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 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","","0.3108","0.0758","","","0.1534","0.2135","","","","","","0.74","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151090","7.984","0.008","16.218","0.014","8.171","0.008","90","","112.95","0.15","90","","974.3","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","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","","0.2053","0.093","","","0.2273","0.3073","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151091","7.403","0.014","13.41","0.03","18.84","0.03","76.34","0.14","80.3","0.2","88.66","0.16","1791","6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","2","","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","","0.2151","0.0686","","","0.1436","0.2235","","","","","","0.809","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151092","11.261","0.004","9.225","0.004","32.382","0.011","90","","95.503","0.011","90","","3348","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F4 N2 O2 -","- C20 H12 F4 N2 O2 -","- C160 H96 F32 N16 O16 -","8","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","","","0.71069","MoKα","","0.0668","0.0461","","","0.1057","0.1202","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151093","25.403","0.009","17.845","0.004","17.218","0.004","90","","132.09","0.02","90","","5792","3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H16 Cl6 N2 O6 -","- C83 H36 Cl6 N2 O6 -","- C332 H144 Cl24 N8 O24 -","4","0.5","","Gubskaya, Valentina P.; Berezhnaya, Lucia Sh; Gubaidullin, Aidar T.; Faingold, Irina I.; Kotelnikova, Raisa A.; Konovalova, Nina P.; Morozov, Vladimir I.; Litvinov, Igor A.; Nuretdinov, Ildus A.","Synthesis, structure and biological activity of nitroxide malonate methanofullerenes.","Organic & biomolecular chemistry","2007","5","6","976","981","10.1039/b617892h","","","1.54184","CuKα","","0.4209","0.0579","","","0.1031","0.1923","","","","","","0.829","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151094","8.1168","0.0011","18.618","0.005","10.168","0.002","90","","90","","90","","1536.6","0.6","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C68 H76 N4 O4 S4 -","4","1","","Murphy, Maureen; Lynch, Denis; Schaeffer, Marcel; Kissane, Marie; Chopra, Jay; O'brien, Elisabeth; Ford, Alan; Ferguson, George; Maguire, Anita R.","Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of alpha-thioamides to alpha-thio-beta-chloroacrylamides.","Organic & biomolecular chemistry","2007","5","8","1228","1241","10.1039/b618540a","","","0.71073","MolybdenumKα","","0.1086","0.0827","","","0.2049","0.2278","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151095","12.949","0.003","13.3462","0.0013","18.932","0.004","90","","103.939","0.023","90","","3175.5","1.1","294","","294","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C136 H152 N8 O8 S8 -","8","2","","Murphy, Maureen; Lynch, Denis; Schaeffer, Marcel; Kissane, Marie; Chopra, Jay; O'brien, Elisabeth; Ford, Alan; Ferguson, George; Maguire, Anita R.","Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of alpha-thioamides to alpha-thio-beta-chloroacrylamides.","Organic & biomolecular chemistry","2007","5","8","1228","1241","10.1039/b618540a","","","0.71073","MolybdenumKα","","0.1202","0.0399","","","0.0731","0.0891","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151096","5.7926","0.0003","10.0685","0.0006","12.2947","0.0007","65.873","0.001","76.452","0.001","85.507","0.001","636.09","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N6 O -","- C13 H16 N6 O -","- C26 H32 N12 O2 -","2","1","","Huang, Weiqiang; Miller, Marvin J.; De Clercq, Erik; Balzarini, Jan","Syntheses and anti-HIV activities of (+/-)-norcarbovir and (+/-)-norabacavir.","Organic & biomolecular chemistry","2007","5","8","1164","1166","10.1039/b700321h","","","0.71073","MoKα","","0.056","0.0529","","","0.1457","0.1491","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151097","8.4065","0.0012","9.6892","0.0014","26.482","0.004","90","","90","","90","","2157","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","","McGhee, Andrea M.; Kizirian, Jean-Claude; Procter, David J.","Synthesis and evaluation of a new polymer-supported pseudoephedrine auxiliary for asymmetric alkylations on solid phase.","Organic & biomolecular chemistry","2007","5","7","1021","1024","10.1039/b700477j","","","0.71073","MoKα","","0.0487","0.0456","","","0.1124","0.1144","","","","","","1.177","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151098","8.0161","0.0009","10.6336","0.0013","18.746","0.002","90","","93.498","0.002","90","","1594.9","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 Se -","- C18 H19 N O3 Se -","- C72 H76 N4 O12 Se4 -","4","1","","Aumann, Kylee M.; Scammells, Peter J.; White, Jonathan M.; Schiesser, Carl H.","On the stability of 2-aminoselenophene-3-carboxylates: potential dual-acting selenium-containing allosteric enhancers of A1 adenosine receptor binding.","Organic & biomolecular chemistry","2007","5","8","1276","1281","10.1039/B700812K","","","0.71073","MoKα","","0.0357","0.0304","","","0.0803","0.0831","","","","","","1.057","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7151099","9.6394","0.001","10.0481","0.0011","10.1555","0.0011","93.933","0.002","101.874","0.002","117.258","0.002","840.58","0.16","123","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O5 Se -","- C18 H18 N2 O5 Se -","- C36 H36 N4 O10 Se2 -","2","1","","Aumann, Kylee M.; Scammells, Peter J.; White, Jonathan M.; Schiesser, Carl H.","On the stability of 2-aminoselenophene-3-carboxylates: potential dual-acting selenium-containing allosteric enhancers of A1 adenosine receptor binding.","Organic & biomolecular chemistry","2007","5","8","1276","1281","10.1039/B700812K","","","0.71073","MoKα","","0.0387","0.034","","","0.0865","0.0897","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151100","11.264","0.0002","16.634","0.0003","17.048","0.0002","90","","90","","90","","3194.2","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H43 N O4 -","- C38 H43 N O4 -","- C152 H172 N4 O16 -","4","1","","Davies, Stephen G.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric three- and [2 + 1]-component conjugate addition reactions for the stereoselective synthesis of polysubstituted piperidinones.","Organic & biomolecular chemistry","2007","5","9","1405","1415","10.1039/b701226h","","","0.71069","MoKα","","","0.0253","","","","0.031","","","","","","0.9146","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151101","9.416","0.002","13.56","0.003","15.727","0.003","90","","90","","90","","2008","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl 2-(N-benzyl-N'-isopropylimidazolin-2-ylidene)-3- thioxobutanedioate","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Zhu, Qing; Liu, Mei-Fang; Wang, Bo; Cheng, Ying","An unprecedented tandem 1,3-dipolar cycloaddition-cheletropic elimination: a facial approach to novel push-pull olefins.","Organic & biomolecular chemistry","2007","5","8","1282","1286","10.1039/b701326d","","","0.71073","MoKα","","0.0586","0.0358","","","0.078","0.0875","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151102","23.3843","0.0006","23.3843","0.0006","8.2561","0.0002","90","","90","","90","","4514.6","0.2","173","2","173","2","","","","","","","","4","I 4","I 4","79","","","","- C94.69 H126.1 N8.65 O13.38 -","- C94.69 H126.106 N8.655 O13.38 -","- C189.38 H252.211 N17.31 O26.76 -","2","0.25","","Szumna, Agnieszka","Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds.","Organic & biomolecular chemistry","2007","5","9","1358","1368","10.1039/b701451a","","","0.71073","MoKα","","0.125","0.0468","","","0.1182","0.1313","","","","","","0.776","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151103","10.052","0.002","15.052","0.003","42.205","0.008","90","","90","","90","","6386","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C324 H252 N36 O24 -","12","3","","Bouet, Alexis; Deguest, Geoffrey; Heller, Barbara; Papamicaël, Cyril; Dupas, Georges; Oudeyer, Sylvain; Marsais, Francis; Levacher, Vincent","Preparation of new axially chiral bridged 2,2'-bipyridines and pyridyl monooxazolines (pymox). Evaluation in copper(I)-catalyzed enantioselective cyclopropanation.","Organic & biomolecular chemistry","2007","5","9","1397","1404","10.1039/b701549f","","","0.71073","MoKα","","0.0859","0.0684","","","0.182","0.1931","","","","","","1.023","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7151104","16.463","0.009","18.19","0.011","13.501","0.01","90","","111.93","0.04","90","","3750","4","198.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 Br F5 P2 -","- C43 H32 Br F5 P2 -","- C172 H128 Br4 F20 P8 -","4","1","","Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi","Reaction of perfluorocyclopentene with various carbon nucleophiles–heteroaromatic lithium reagents, enolate and phosphonium ylide.","Organic & biomolecular chemistry","2007","5","9","1442","1449","10.1039/b701702b","","","1.54178","CuKα","","","0.0789","","","","0.2354","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151105","17.266","0.007","17.317","0.007","13.791","0.004","90","","90","","90","","4123","3","198.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F5 O P -","- C24 H16 F5 O P -","- C192 H128 F40 O8 P8 -","8","1","","Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi","Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide.","Organic & biomolecular chemistry","2007","5","9","1442","1449","10.1039/b701702b","","","1.54178","CuKα","","","0.0485","","","","0.117","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151106","10.9131","0.0002","13.5228","0.0002","20.2901","0.0003","90","","90","","90","","2994.33","0.08","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp)-8-(2-Furyl)adenosine-2'-O-(tert-butyldimethylsilyl)- 3',5'-cyclic N-phenylphosphoramidate","(Sp)-8-(2-Furyl)adenosine-2'-O-(tert-butyldimethylsilyl)-3',5'-cyclic N- phenylphosphoramidate","","- C26 H33 N6 O6 P Si -","- C26 H33 N6 O6 P Si -","- C104 H132 N24 O24 P4 Si4 -","4","1","","Andrei, Mioara; Bjørnstad, Vidar; Langli, Geir; Rømming, Christian; Klaveness, Jo; Taskén, Kjetil; Undheim, Kjell","Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids.","Organic & biomolecular chemistry","2007","5","13","2070","2080","10.1039/b702403g","","","0.71073","MoKα","","0.0252","0.0244","","","0.065","0.066","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151107","10.8533","0.0005","13.3879","0.0006","20.9242","0.0009","90","","90","","90","","3040.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'- cyclic N-benzylphosphoramidate","(Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'-cyclic N- benzylphosphoramidate","","- C27 H35 N6 O6 P Si -","- C27 H35 N6 O6 P Si -","- C108 H140 N24 O24 P4 Si4 -","4","1","","Andrei, Mioara; Bjørnstad, Vidar; Langli, Geir; Rømming, Christian; Klaveness, Jo; Taskén, Kjetil; Undheim, Kjell","Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids.","Organic & biomolecular chemistry","2007","5","13","2070","2080","10.1039/b702403g","","","0.71073","MoKα","","0.0416","0.032","","","0.0802","0.0857","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151108","8.38","0.007","10.583","0.008","29.23","0.03","90","","99.424","0.01","90","","2557","4","183.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-9-(2-(4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy)-ethyl)-1,9-dihydro-purin-6-one","2-Amino-9-{2-[4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy]-ethyl}-1,9-dihydro-purin-6-one","","- C21 H25 Cl3 N7 O4 -","- C21 H25 Cl3 N7 O4 -","- C84 H100 Cl12 N28 O16 -","4","1","","Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","A guanine-substituted nitronyl nitroxide radical forming a one-dimensional ferromagnetic chain.","Organic & biomolecular chemistry","2007","5","10","1641","1645","10.1039/b702606d","","","0.7107","MoKα","","","0.0819","","","","0.1968","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151109","21.9143","0.001","10.1032","0.0005","8.7088","0.0004","90","","98.099","0.001","90","","1908.94","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N3 O2 -","- C20 H19 Cl2 N3 O2 -","- C80 H76 Cl8 N12 O8 -","4","1","","Marchetti, Francesco; Sayle, Kerry L.; Bentley, Johanne; Clegg, William; Curtin, Nicola J.; Endicott, Jane A.; Golding, Bernard T.; Griffin, Roger J.; Haggerty, Karen; Harrington, Ross W.; Mesguiche, Veronique; Newell, David R.; Noble, Martin E. M.; Parsons, Rachel J.; Pratt, David J.; Wang, Lan Z.; Hardcastle, Ian R.","Structure-based design of 2-arylamino-4-cyclohexylmethoxy-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinase 2.","Organic & biomolecular chemistry","2007","5","10","1577","1585","10.1039/b703241b","","","0.8462","synchrotron","","0.0449","0.0375","","","0.0931","0.0978","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151110","16.962","0.0014","10.7877","0.0009","27.228","0.002","90","","98.375","0.001","90","","4929.1","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cl N4 O3 -","- C27 H27 Cl N4 O3 -","- C216 H216 Cl8 N32 O24 -","8","1","","Marchetti, Francesco; Sayle, Kerry L.; Bentley, Johanne; Clegg, William; Curtin, Nicola J.; Endicott, Jane A.; Golding, Bernard T.; Griffin, Roger J.; Haggerty, Karen; Harrington, Ross W.; Mesguiche, Veronique; Newell, David R.; Noble, Martin E. M.; Parsons, Rachel J.; Pratt, David J.; Wang, Lan Z.; Hardcastle, Ian R.","Structure-based design of 2-arylamino-4-cyclohexylmethoxy-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinase 2.","Organic & biomolecular chemistry","2007","5","10","1577","1585","10.1039/b703241b","","","0.8462","synchrotron","","0.0518","0.0449","","","0.1102","0.1165","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151111","8.5254","0.0016","8.6886","0.0016","10.3659","0.0019","97.728","0.003","94.587","0.002","117.361","0.003","666.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","Newsome, Jeffery J.; Swann, Elizabeth; Hassani, Mary; Bray, Kurtis C.; Slawin, Alexandra M. Z.; Beall, Howard D.; Moody, Christopher J.","Indolequinone antitumour agents: correlation between quinone structure and rate of metabolism by recombinant human NAD(P)H:quinone oxidoreductase.","Organic & biomolecular chemistry","2007","5","10","1629","1640","10.1039/b703370b","","","0.71073","MoKα","","0.0726","0.0403","","","0.0911","0.1036","","","","","","0.892","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151112","11.8185","0.0004","11.0156","0.0004","18.8659","0.0008","90","","95.528","0.003","90","","2444.69","0.16","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","?","- C76 H88 N24 O44 -","- C76 H88 N24 O44 -","","","","Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling","Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction.","Organic & biomolecular chemistry","2007","5","11","1695","1701","10.1039/b703420b","","","","","","","","","","","","","","","","","","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151113","7.5396","0.0001","7.9351","0.0002","43.1982","0.0006","90","","90","","90","","2584.44","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5-tri-O- acetyl-beta-D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester","3-[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,3,5-tri-O-acetyl-beta- D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester","","- C24 H26 N6 O10 -","- C24 H26 N6 O10 -","- C96 H104 N24 O40 -","4","1","","Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling","Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction.","Organic & biomolecular chemistry","2007","5","11","1695","1701","10.1039/b703420b","","","0.71073","MoKα","","0.0859","0.0613","","","0.1449","0.1791","","","","","","1.317","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151114","11.407","0.002","9.859","0.002","10.146","0.002","90","","96.153","0.006","90","","1134.5","0.4","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C15 H11 Br -","- C15 H11 Br -","- C60 H44 Br4 -","4","2","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.089","0.0597","","","0.1477","0.1998","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151115","11.2911","0.0008","8.3652","0.0006","20.6135","0.0015","90","","100.741","0.002","90","","1912.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 -","- C29 H20 -","- C116 H80 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0584","0.0524","","","0.1317","0.1379","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151116","14.876","0.002","10.0507","0.0014","12.6706","0.0018","90","","90","","90","","1894.4","0.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C29 H20 -","- C29 H20 -","- C116 H80 -","4","0.5","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0587","0.053","","","0.1137","0.1164","","","","","","1.23","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151117","23.6218","0.0016","23.6218","0.0016","4.7492","0.0007","90","","90","","120","","2295","0.4","100","2","100","2","","","","","","","","2","P 61","P 61","169","","","","- C23 H16 -","- C23 H16 -","- C138 H96 -","6","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0686","0.0623","","","0.1986","0.2088","","","","","","1.376","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151118","22.789","0.007","13.891","0.004","13.212","0.003","90","","101.325","0.011","90","","4101","2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H94 Fe2 N4 O2 -","- C100 H94 Fe2 N4 O2 -","- C200 H188 Fe4 N8 O4 -","2","0.5","","Schmittel, Michael; He, Bice; Kalsani, Venkateshwarlu; Bats, Jan W.","Supramolecular effects on the potential of redox units-nanoscaffolds internally functionalised with ferrocene units.","Organic & biomolecular chemistry","2007","5","15","2395","2403","10.1039/b703633g","","","0.71073","MoKα","","0.3733","0.1149","","","0.2201","0.3013","","","","","","0.877","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151119","8.2824","0.0006","13.7389","0.001","12.711","0.001","90","","91.284","0.001","90","","1446.04","0.19","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H46 O7 Si -","- C29 H46 O7 Si -","- C58 H92 O14 Si2 -","2","1","","Ahmad, Nadia M.; Rodeschini, Vincent; Simpkins, Nigel S.; Ward, Simon E.; Wilson, Claire","Synthetic studies towards garsubellin A: synthesis of model systems and potential mimics by regioselective lithiation of bicyclo[3.3.1]nonane-2,4,9-trione derivatives from catechinic acid.","Organic & biomolecular chemistry","2007","5","12","1924","1934","10.1039/b704311b","","","0.71073","MoKα","","0.039","0.0376","","","0.0991","0.1004","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151120","13.7696","0.0005","8.3551","0.0002","20.4951","0.0006","90","","90","","90","","2357.89","0.12","298","","","","","","","","","","Local laboratory","4","P b c n","-P 2n 2ab","60","","","","- C24 H28 F2 O9 -","- C24 H28 F2 O9 -","- C96 H112 F8 O36 -","4","0.5","","Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael","Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.","Organic & biomolecular chemistry","2007","5","15","2464","2471","10.1039/b704472k","","","0.71073","MoKα","","0.1021","0.0595","","","0.1217","0.1389","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151121","4.7854","0.0006","11.316","0.002","22.705","0.003","80.348","0.008","86.525","0.01","86.318","0.007","1208.1","0.3","100","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C12 H15 F O5 -","- C12 H15 F O5 -","- C48 H60 F4 O20 -","4","2","","Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael","Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.","Organic & biomolecular chemistry","2007","5","15","2464","2471","10.1039/b704472k","","","0.71074","MoKα","","0.1016","0.0669","","","0.1526","0.1734","","","","","","1.246","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151122","9.3443","0.0003","9.8498","0.0003","15.9297","0.0006","90","","103.866","0.0015","90","","1423.43","0.08","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H37 N3 O5 -","- C30 H37 N3 O5 -","- C60 H74 N6 O10 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Ouzman, Jaqueline V. A.; Roberts, Paul M.; Smith, Andrew D.; Snow, Emma J.; Thomson, James E.; Tamayo, Juan A.; Vickers, Richard J.","Diastereoselective synthesis of quaternary alpha-amino acids from diketopiperazine templates.","Organic & biomolecular chemistry","2007","5","13","2138","2147","10.1039/b704475e","","","0.71073","MoKα","","0.0651","0.0518","","0.0633","0.0566","0.0566","","","","","","1.0935","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151123","9.415","0.0001","33.845","0.0004","9.568","0.0002","90","","90","","90","","3048.85","0.08","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N3 O7 -","- C31 H43 N3 O7 -","- C124 H172 N12 O28 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Ouzman, Jaqueline V. A.; Roberts, Paul M.; Smith, Andrew D.; Snow, Emma J.; Thomson, James E.; Tamayo, Juan A.; Vickers, Richard J.","Diastereoselective synthesis of quaternary alpha-amino acids from diketopiperazine templates.","Organic & biomolecular chemistry","2007","5","13","2138","2147","10.1039/b704475e","","","0.71073","MoKα","","0.0839","0.0718","","0.0845","0.0722","0.0722","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151124","14.181","0.002","6.9634","0.001","17.674","0.003","90","","106.362","0.009","90","","1674.6","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br2 N3 O4 -","- C15 H17 Br2 N3 O4 -","- C60 H68 Br8 N12 O16 -","4","1","","Evans, Kathryn M.; Haraldsen, Jeralyn D.; Pearson, Russell J.; Slawin, Alexandra M. Z.; Ward, Gary E.; Westwood, Nicholas J.","Synthesis and chemical characterisation of target identification reagents based on an inhibitor of human cell invasion by the parasite Toxoplasma gondii.","Organic & biomolecular chemistry","2007","5","13","2063","2069","10.1039/b704685e","","","0.71073","MoKα","","0.0928","0.0739","","","0.1515","0.1615","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151125","6.0186","0.0002","14.441","0.0004","26.8635","0.0008","90","","91.465","0.002","90","","2334.07","0.12","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C104 H144 O24 -","8","2","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0928","0.0553","","0.106","0.0911","0.106","","","","","","0.8325","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151126","7.2231","0.0003","9.3503","0.0004","17.2474","0.0006","90","","90","","90","","1164.86","0.08","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0664","0.0501","","0.1074","0.1","0.1074","","","","","","0.8705","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151127","6.8884","0.0002","8.7287","0.0003","10.4626","0.0003","90","","103.724","0.002","90","","611.12","0.03","150","","150","","","","","","","","C. McGowan","3","P 1 c 1","P -2yc","7","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C28 H44 O4 -","2","1","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0348","0.0335","","0.0801","0.0795","0.0801","","","","","","0.9682","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151128","9.5595","0.0002","17.1047","0.0005","13.6097","0.0003","90","","98.2945","0.0016","90","","2202.08","0.09","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","2","","Davies, Stephen G.; Garner, A. Christopher; Goddard, Euan C.; Kruchinin, Dennis; Roberts, Paul M.; Smith, Andrew D.; Rodriguez-Solla, Humberto; Thomson, James E.; Toms, Steven M.","Asymmetric synthesis of 3,4-anti- and 3,4-syn-substituted aminopyrrolidines via lithium amide conjugate addition.","Organic & biomolecular chemistry","2007","5","12","1961","1969","10.1039/b704932c","","","0.71073","MoKα","","0.0583","0.0469","","0.0748","0.058","0.058","","","","","","1.0904","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151129","12.9386","0.0008","12.9386","0.0008","8.5628","0.0007","90","","90","","90","","1433.48","0.17","120","2","120","2","","","","","","","","4","P 42","P 4c","77","","","","- C12 H24 N3 O3.5 -","- C12 H24 N3 O3.5 -","- C48 H96 N12 O14 -","4","1","","Hosseini, Masood; Grau, Jakob S.; Sørensen, Kasper K; Søtofte, Inger; Tanner, David; Murray, Anthony; Tønder, Janne E","Short and efficient diastereoselective synthesis of pyrrolidinone-containing dipeptide analogues.","Organic & biomolecular chemistry","2007","5","14","2207","2210","10.1039/b705093c","","","0.71073","MoKα","","0.1077","0.1025","","","0.2067","0.2087","","","","","","1.23","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151130","7.8129","0.0004","28.2692","0.0013","7.6955","0.0003","90","","99.413","0.001","90","","1676.78","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Br N3 O3 -","- C17 H22 Br N3 O3 -","- C68 H88 Br4 N12 O12 -","4","1","","Barbeau, Olivier R.; Cano-Soumillac, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Smith, Graeme C. M.; Richardson, Caroline; Clegg, William; Harrington, Ross W.; Golding, Bernard T.","Quinolinone and pyridopyrimidinone inhibitors of DNA-dependent protein kinase","Organic & Biomolecular Chemistry","2007","5","16","2670","","10.1039/b705095j","","","0.71073","MoKα","","0.0412","0.0331","","","0.0796","0.0827","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151131","20.22","0.009","16.889","0.007","23.103","0.01","90","","110.821","0.007","90","","7374","6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N3 O5 S -","- C13 H12 F3 N3 O5 S -","- C260 H240 F60 N60 O100 S20 -","20","5","","Barbeau, Olivier R.; Cano-Soumillac, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Smith, Graeme C. M.; Richardson, Caroline; Clegg, William; Harrington, Ross W.; Golding, Bernard T.","Quinolinone and pyridopyrimidinone inhibitors of DNA-dependent protein kinase","Organic & Biomolecular Chemistry","2007","5","16","2670","","10.1039/b705095j","","","0.6898","synchrotron","","0.0834","0.0471","","","0.1104","0.1275","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151132","11.237","0.002","11.608","0.002","13.253","0.003","68.38","0.03","84.74","0.03","66.43","0.03","1469.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 Cl3 O Si2 -","- C29 H31 Cl3 O Si2 -","- C58 H62 Cl6 O2 Si4 -","2","1","","Hu, Qiaoshu; Wang, Chao; Li, Dongzhen; Xi, Zhenfeng","Formation of stable enols from 1,4-dilithio-1,3-dienes and acid chlorides by a de-aromatization/Michael addition/re-aromatization domino process.","Organic & biomolecular chemistry","2007","5","13","2114","2118","10.1039/b705110g","","","0.71073","MoKα","","0.079","0.0491","","","0.1193","0.128","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151133","8.615","0.006","12.829","0.004","14.996","0.005","88.06","0.03","78.28","0.04","75.7","0.04","1572.3","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H40 N6 O6 P2 -","- C29 H40 N6 O6 P2 -","- C58 H80 N12 O12 P4 -","2","1","","Skarpos, Hanna; Osipov, Sergey N.; Vorob'eva, Daria V.; Odinets, Irina L.; Lork, Enno; Röschenthaler, Gerd-Volker","Synthesis of functionalized bisphosphonates via click chemistry.","Organic & biomolecular chemistry","2007","5","15","2361","2367","10.1039/b705510b","","","0.71073","MoKα","","0.1135","0.0702","","","0.1681","0.194","","","","","","1.024","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7151134","6.052","0.0001","23.756","0.0005","23.944","0.0005","90","","90","","90","","3442.46","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H46 O6 -","- C39 H46 O6 -","- C156 H184 O24 -","4","1","","Risseeuw, Martijn D. P.; Mazurek, Jaroslaw; van Langenvelde, Arjan; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Synthesis of alkylated sugar amino acids: conformationally restricted L-Xaa-L-Ser/Thr mimics.","Organic & biomolecular chemistry","2007","5","14","2311","2314","10.1039/b705750d","","","0.71073","MoKα","","0.0747","0.0465","","","0.0858","0.0965","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151135","10.978","0.0015","4.7347","0.0006","16.96","0.002","90","","108.412","0.002","90","","836.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 F8 I2 O2 -","- C20 F8 I2 O2 -","- C40 F16 I4 O4 -","2","0.5","","Miyata, Yasuo; Minari, Takeo; Nemoto, Takashi; Isoda, Seiji; Komatsu, Koichi","Synthesis of fluorinated anti-fluorenacenedione and the structural, electronic, and field-effect properties","Organic & Biomolecular Chemistry","2007","5","16","2592","","10.1039/b706621j","","","0.71073","MoKα","","0.029","0.0244","","","0.06","0.0625","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151136","11.3312","0.0012","11.4371","0.0012","14.5628","0.0016","90","","111.863","0.002","90","","1751.5","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","6,19-cyclopregn-4-ene-3,20-dione","6,19-cyclopregn-4-ene-3,20-dione","","- C21 H28 O2 -","- C21 H28 O2 -","- C84 H112 O8 -","4","2","","Di Chenna, Pablo H.; Veleiro, Adriana S.; Sonego, Juan M.; Ceballos, Nora R.; Garland, M. Teresa; Baggio, Ricardo F.; Burton, Gerardo","Synthesis of 6,19-cyclopregnanes. Constrained analogues of steroid hormones.","Organic & biomolecular chemistry","2007","5","15","2453","2457","10.1039/b706828j","","","0.71073","MoKα","","0.0852","0.057","","","0.0832","0.0901","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151137","11.5985","0.0004","14.1871","0.0005","14.5743","0.0006","90","","100.842","0.002","90","","2355.38","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(2)Pseudorotaxane_CH3CN","","","- C44 H54 B2 F8 N6 O8 -","- C44 H54 B2 F8 N6 O8 -","- C88 H108 B4 F16 N12 O16 -","2","0.5","","Castillo, Dolores; Astudillo, Pablo; Mares, Jennifer; González, Felipe J; Vela, Alberto; Tiburcio, Jorge","Chemically controlled self-assembly of [2]pseudorotaxanes based on 1,2-bis(benzimidazolium)ethane cations and 24-crown-8 macrocycles.","Organic & biomolecular chemistry","2007","5","14","2252","2256","10.1039/b707211b","","","0.71073","MoKα","","0.1453","0.0991","","","0.2662","0.3129","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151138","8.9189","0.0003","11.0803","0.0004","12.0622","0.0004","81.66","0.002","79.928","0.001","77.557","0.002","1138.93","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(2)Pseudorotaxane_CH3NO2","","","- C42 H54 B2 F8 N6 O12 -","- C42 H54 B2 F8 N6 O12 -","- C42 H54 B2 F8 N6 O12 -","1","0.5","","Castillo, Dolores; Astudillo, Pablo; Mares, Jennifer; González, Felipe J; Vela, Alberto; Tiburcio, Jorge","Chemically controlled self-assembly of [2]pseudorotaxanes based on 1,2-bis(benzimidazolium)ethane cations and 24-crown-8 macrocycles.","Organic & biomolecular chemistry","2007","5","14","2252","2256","10.1039/b707211b","","","0.71073","MoKα","","0.097","0.0608","","","0.1327","0.1575","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151139","14.913","0.003","15.95","0.003","14.25","0.003","90","","90","","90","","3389.5","1.2","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.","Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.","Organic & biomolecular chemistry","2007","5","18","2983","2991","10.1039/b707576f","","","0.71073","MoKα","","0.18","0.0701","","","0.1614","0.2289","","","","","","0.961","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151140","7.3052","0.0009","13.9881","0.0018","17.435","0.002","70.603","0.002","87.747","0.002","84.239","0.002","1672","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 Cl N O5 -","- C18 H20 Cl N O5 -","- C72 H80 Cl4 N4 O20 -","4","4","","Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.","Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.","Organic & biomolecular chemistry","2007","5","18","2983","2991","10.1039/b707576f","","","0.71073","MoKα","","0.1222","0.0977","","","0.2467","0.2706","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151141","6.9224","0.0007","13.7063","0.0014","10.2746","0.001","90","","99.149","0.002","90","","962.46","0.17","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Goh, Yit Wooi; White, Jonathan M.","Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.","Organic & biomolecular chemistry","2007","5","15","2354","2356","10.1039/b707643f","","","0.71073","MoKα","","0.0449","0.0364","","","0.0905","0.0936","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151142","7.6323","0.0008","8.5174","0.0009","17.502","0.0019","90","","97.041","0.002","90","","1129.2","0.2","130","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Goh, Yit Wooi; White, Jonathan M.","Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.","Organic & biomolecular chemistry","2007","5","15","2354","2356","10.1039/b707643f","","","0.71073","MoKα","","0.0725","0.0484","","","0.0965","0.1051","","","","","","0.959","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151143","9.304","0.0008","8.6876","0.0007","12.6963","0.0011","90","","90","","90","","1026.23","0.15","130","2","130","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","0.5","","Goh, Yit Wooi; White, Jonathan M.","Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.","Organic & biomolecular chemistry","2007","5","15","2354","2356","10.1039/b707643f","","","0.71073","MoKα","","0.0288","0.0284","","","0.0744","0.0747","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7151144","14.118","0.0003","6.1198","0.0002","14.4072","0.0004","90","","108.441","0.0011","90","","1180.85","0.06","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N2 O3 -","- C26 H34 N2 O3 -","- C52 H68 N4 O6 -","2","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.036","0.0335","","0.037","0.0354","0.0354","","","","","","1.1739","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151145","8.6876","0.0002","14.8422","0.0003","22.3552","0.0004","90","","90","","90","","2882.55","0.1","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","- C128 H152 N8 O16 -","4","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.0528","0.0375","","0.056","0.0433","0.0433","","","","","","1.0991","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151146","11.5661","0.0002","12.049","0.0002","20.5677","0.0004","90","","90","","90","","2866.31","0.09","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O4 -","- C29 H40 N2 O4 -","- C116 H160 N8 O16 -","4","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.0676","0.0426","","0.0661","0.0502","0.0502","","","","","","1.0963","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151147","10.2895","0.0006","10.2232","0.0005","22.4956","0.0011","90","","94.284","0.002","90","","2359.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H31 N O6 S -","- C22 H31 N O6 S -","- C88 H124 N4 O24 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.0671","0.0476","","","0.1293","0.1469","","","","","","1.015","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151148","11.0618","0.0002","17.0577","0.0002","16.0387","0.0002","90","","105.509","0.001","90","","2916.13","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 N O10 S -","- C27 H35 N O10 S -","- C108 H140 N4 O40 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.1213","0.0885","","","0.2425","0.2724","","","","","","0.945","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151149","6.1394","0.0008","21.563","0.003","13.0265","0.0014","90","","102.48","0.008","90","","1683.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.1303","0.0894","","","0.2196","0.2425","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151150","7.6072","0.0003","12.0948","0.0004","17.8368","0.0006","90","","96.33","0.002","90","","1631.12","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.0486","0.0396","","","0.1066","0.1129","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151151","6.0833","0.0005","9.5865","0.0007","22.1903","0.0017","81.993","0.005","86.709","0.005","78.059","0.004","1253.19","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cl3 N2 O5 S -","- C21 H27 Cl3 N2 O5 S -","- C42 H54 Cl6 N4 O10 S2 -","2","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.1168","0.0596","","","0.1385","0.1692","","","","","","0.94","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151152","13.9345","0.0002","8.792","0.0002","16.3108","0.0003","90","","96.0142","0.0011","90","","1987.27","0.06","200","","200","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels–Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0485","0.0325","","0.0427","0.0351","0.0351","","","","","","1.1283","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151153","15.0402","0.0003","15.3235","0.0003","19.7863","0.0005","90","","90","","90","","4560.12","0.17","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H26 O6 -","- C27 H26 O6 -","- C216 H208 O48 -","8","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels–Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0402","0.0325","","0.041","0.0361","0.0361","","","","","","1.0664","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151154","11.019","0.0004","7.6264","0.0003","12.1306","0.0005","90","","91.3965","0.0017","90","","1019.1","0.07","200","","200","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C50 H48 O8 -","2","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels–Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0353","0.0353","","0.0391","0.0391","0.0391","","","","","","1.0875","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151155","7.3431","0.0003","6.158","0.0003","14.2504","0.0006","90","","90.828","0.001","90","","644.32","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl2 N O2 -","- C11 H15 Cl2 N O2 -","- C22 H30 Cl4 N2 O4 -","2","1","","Spiess, Stephanie; Berthold, Carola; Weihofen, Robert; Helmchen, Günter","Synthesis of alpha,beta-unsaturated gamma-lactams via asymmetric iridium-catalysed allylic substitution.","Organic & biomolecular chemistry","2007","5","15","2357","2360","10.1039/b708571k","","","0.71073","MoKα","","0.0677","0.0456","","","0.087","0.0957","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151156","12.996","0.002","9.9631","0.0015","17.8565","0.0018","90","","116.763","0.008","90","","2064.4","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N5 O6 -","- C22 H17 Cu N5 O6 -","- C88 H68 Cu4 N20 O24 -","4","1","","Bertrand, Hélène; Monchaud, David; De Cian, Anne; Guillot, Régis; Mergny, Jean-Louis; Teulade-Fichou, Marie-Paule","The importance of metal geometry in the recognition of G-quadruplex-DNA by metal-terpyridine complexes","Organic & Biomolecular Chemistry","2007","5","16","2555","","10.1039/b708635k","","x-ray","0.71073","MoKα","","0.085","0.0733","","","0.207","0.2111","","","","","","1.088","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151157","7.6411","0.0003","8.4172","0.0003","12.521","0.0005","71.402","0.001","85.487","0.002","63.189","0.002","679.18","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C30 H34 N6 O4 -","2","1","","Kumarn, Sirirat; Oelke, Alexander J.; Shaw, David M.; Longbottom, Deborah A.; Ley, Steven V.","A sequential enantioselective, organocatalytic route to chiral 1,2-oxazines and chiral pyridazines","Organic & Biomolecular Chemistry","2007","5","16","2678","","10.1039/b708646f","","","0.71073","MoKα","","0.0649","0.0448","","","0.1016","0.1124","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151158","10.716","0.001","20.066","0.002","10.835","0.001","90","","91.767","0.009","90","","2328.7","0.4","296.2","","296.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl3 N O5 S -","- C20 H24 Cl3 N O5 S -","- C80 H96 Cl12 N4 O20 S4 -","4","1","","Baylis, Alison M.; Davies, Michael P. H.; Thomas, Eric J.","Synthetic approaches to the polycyclic alkaloid stemofoline.","Organic & biomolecular chemistry","2007","5","19","3139","3155","10.1039/b708910d","","","1.5418","CuKα","","","0.0774","","","0.0956","","","","","3.081","3.081","","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151159","16.5525","0.0003","10.1393","0.0002","14.0826","0.0003","90","","90","","90","","2363.49","0.08","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","3-bromo-4,5,6,7-tetrahydroazepinobenzisothiazole-1,1-dioxide","","- C12 H12 Br N O2 S -","- C12 H12 Br N O2 S -","- C96 H96 Br8 N8 O16 S8 -","8","1","","Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S.","One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams.","Organic & biomolecular chemistry","2007","5","21","3472","3476","10.1039/b708967h","","","0.71073","Mo-Kα","","0.0345","0.0285","","","0.0695","0.0724","","","","","","1.145","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151160","10.79","0.004","10.8","0.003","13.163","0.004","96.79","0.03","106","0.03","105.9","0.03","1386.6","0.9","150","","150","","","","","","","","","4","P 1","P 1","1","8-((1'',10'''-phenantroline-2''-yl)phenyl)-2'-deoxyadenosine","8-[(1'',10'''-phenantroline-2''-yl]phenyl]-2'-deoxyadenosine","","- C28 H23 N7 O3 -","- C28 H22.5 N7 O3 -","- C56 H45 N14 O6 -","2","2","","Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.","Organic & biomolecular chemistry","2007","5","17","2849","2857","10.1039/b709245h","","x-ray","1.54184","CuKα","","0.0894","0.0576","","0.092","0.0712","0.0712","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151161","13.291","0.005","13.669","0.005","16.242","0.005","89.02","0.03","71.32","0.03","89.82","0.04","2794.9","1.8","150","","150","","","","","","","","","7","P 1","P 1","1","8((1'',10'''-phenantroline-2''-yl)phenyl-(bis (2,2')- bipyridine)ruthenium)-2'-deoxyadenosine-dihexafluorophosphate","8{(1'',10'''-phenantroline-2''-yl)phenyl-(bis [2,2']-bipyridine)ruthenium}-2'-deoxyadenosine- dihexafluorophosphate","","- C48 H38 F12 N11 O3 P2 Ru2 -","- C48 H37.5 F12 N11 O3 P2 Ru -","- C96 H75 F24 N22 O6 P4 Ru2 -","2","2","","Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.","Organic & biomolecular chemistry","2007","5","17","2849","2857","10.1039/b709245h","","x-ray","1.54184","CuKα","","0.0727","0.0585","","0.0778","0.0689","0.0689","","","","","","1.1081","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151162","16.9623","0.0004","9.9591","0.0002","11.0721","0.0003","90","","96.287","0.001","90","","1859.15","0.08","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1S*,2S*,3R*,4R*)-4-Cyclohexyl-3-ethenyl-4-methoxy-2-methyl-1- phenylbutan-1-ol","(1S*,2S*,3R*,4R*)-4-Cyclohexyl-3-ethenyl-4-methoxy-2-methyl-1-phenylbutan-1-ol","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Hughes, Nicholas J.; Pullin, Robert D. C.; Sanganee, Mahesh J.; Sellars, Jonathan D.; Steel, Patrick G.; Turner, Michael J.","Hosomi-Sakurai reactions of silacyclohexenes.","Organic & biomolecular chemistry","2007","5","17","2841","2848","10.1039/b709318g","","","0.71073","MoKα","","0.0781","0.0385","","0.1426","0.0891","0.0891","","","","","","1.0325","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151163","9.3614","0.0007","10.3321","0.0004","20.0889","0.0015","90","","90","","90","","1943.1","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5S,6S-5,6-bis((4'R)-2',2'-dimethyl-1,3-dioxolan-4'-yl)-5,6- dihydro-1,3-dithiolo(4,5-b)1,4-dithiin-2-thione","5S,6S-5,6-bis((4'R)-2',2'-dimethyl-1,3-dioxolan-4'-yl)-5,6-dihydro-1,3- dithiolo[4,5-b]1,4-dithiin-2-thione","","- C15 H20 O4 S5 -","- C15 H20 O4 S5 -","- C60 H80 O16 S20 -","4","1","","Brown, R. James; Brooks, Andrew C.; Griffiths, Jon-Paul; Vital, Betrand; Day, Peter; Wallis, John D.","Synthesis of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) derivatives functionalised with two, four or eight hydroxyl groups.","Organic & biomolecular chemistry","2007","5","19","3172","3182","10.1039/b709823e","","","0.71073","MoKα","","0.1543","0.0607","","","0.0985","0.1153","","","","","","0.87","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151164","9.243","0.005","5.497","0.003","12.258","0.007","90","","95.177","0.009","90","","620.3","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.1055","0.0664","","","0.1539","0.1731","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151165","7.5636","0.0011","10.4554","0.0016","15.375","0.002","90","","90","","90","","1215.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O4 S -","- C12 H12 O4 S -","- C48 H48 O16 S4 -","4","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.0398","0.0315","","","0.077","0.0803","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151166","8.587","0.003","5.2659","0.0018","19.647","0.007","90","","95.641","0.006","90","","884.1","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br N O3 S -","- C16 H22 Br N O3 S -","- C32 H44 Br2 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.0577","0.0433","","","0.0914","0.0971","","","","","","0.976","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151167","5.249","0.003","5.794","0.003","20.357","0.012","90","","94.212","0.01","90","","617.4","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.075","0.0568","","","0.13","0.1356","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151168","7.4415","0.0013","21.445","0.004","8.9163","0.0015","90","","104.154","0.002","90","","1379.7","0.4","110","2","110","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I N4 O -","- C13 H15 I N4 O -","- C52 H60 I4 N16 O4 -","4","1","","Pérez-Castro, Isabel; Caamaño, Olga; Fernández, Franco; García, Marcos D; López, Carmen; De Clercq, Erik","Synthesis of 4-substituted-1,2,3-triazole carbanucleoside analogues of ribavirin via click chemistry.","Organic & biomolecular chemistry","2007","5","23","3805","3813","10.1039/b710348d","","x-ray","0.7107","MoKα","","0.0389","0.0265","","","0.0613","0.0649","","","","","","1.066","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151169","11.0274","0.0005","8.9869","0.0005","21.255","0.0008","90","","91.304","0.003","90","","2105.87","0.17","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H56 N8 O8 -","- C44 H56 N8 O8 -","- C88 H112 N16 O16 -","2","0.5","","Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew","Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles.","Organic & biomolecular chemistry","2007","5","22","3651","3656","10.1039/b710487a","","x-ray","0.71073","MoKα","","0.1194","0.0589","","","0.1213","0.1376","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151170","11.1024","0.0004","13.8168","0.0005","26.9261","0.0009","90","","90","","90","","4130.5","0.3","295","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H34 Cl2 N2 O6 P2 Pt -","- C42 H30 Cl2 N2 O6 P2 Pt -","- C168 H120 Cl8 N8 O24 P8 Pt4 -","4","1","","Eberhardt, Luc; Armspach, Dominique; Matt, Dominique; Oswald, Benoît; Toupet, Loic","Efficient asymmetric hydrogenation of olefins with hydrazine-derived diphosphoramidites.","Organic & biomolecular chemistry","2007","5","20","3340","3346","10.1039/b710576b","","","0.71069","MoKα","","0.051","0.0422","","","0.1143","0.1181","","","","","","1.03","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151171","7.944","0.003","9.7","0.004","11.001","0.003","81.649","0.003","74.131","0.003","67.241","0.002","751.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl N2 O2.5 Se -","- C14 H11 Cl N2 O2.5 Se -","- C28 H22 Cl2 N4 O5 Se2 -","2","1","","Kuzma, Dusan; Parvez, Masood; Back, Thomas George","Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.","Organic & biomolecular chemistry","2007","5","19","3213","3217","10.1039/b710685h","","","0.71073","MoKα","","0.05","0.035","","","0.076","0.081","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151172","4.554","0.002","18.386","0.004","9.912","0.007","90","","102.57","0.02","90","","810","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O6 Se -","- C14 H18 N2 O6 Se -","- C28 H36 N4 O12 Se2 -","2","1","","Kuzma, Dusan; Parvez, Masood; Back, Thomas George","Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.","Organic & biomolecular chemistry","2007","5","19","3213","3217","10.1039/b710685h","","","0.71073","MoKα","","0.12","0.075","","","0.137","0.159","","","","","","1.21","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151173","12.3636","0.001","5.2242","0.0004","13.3704","0.0011","90","","97.482","0.002","90","","856.24","0.12","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C42 H48 N4 O2 -","2","1","","Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu","Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.","Organic & biomolecular chemistry","2007","5","23","3834","3841","10.1039/b710780c","","","0.7107","MoKα","","","0.051","","","","0.102","","","","","","1.133","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151174","5.3478","0.001","13.519","0.003","23.99","0.005","90","","90","","90","","1734.4","0.6","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu","Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.","Organic & biomolecular chemistry","2007","5","23","3834","3841","10.1039/b710780c","","","0.7107","MoKα","","","0.039","","","","0.115","","","","","","1.155","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151175","11.3721","0.0014","9.835","0.0013","20.671","0.002","90","","90","","90","","2311.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Fe N O4 -","- C10 H11 Fe N O4 -","- C80 H88 Fe8 N8 O32 -","8","1","","Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade.","Organic & biomolecular chemistry","2007","5","20","3325","3329","10.1039/b710898b","","","1.54178","CuKα","","0.1026","0.0559","","","0.1264","0.1444","","","","","","1.029","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151176","7.6829","0.0003","10.9941","0.0004","12.0958","0.0004","69.757","0.002","78.689","0.002","89.592","0.002","937.92","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Br Fe N O3 -","- C17 H22 Br Fe N O3 -","- C34 H44 Br2 Fe2 N2 O6 -","2","1","","Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade.","Organic & biomolecular chemistry","2007","5","20","3325","3329","10.1039/b710898b","","","1.54178","CuKα","","0.0567","0.0433","","","0.1091","0.1167","","","","","","1.049","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151177","9.905","0.001","9.905","0.001","39.488","0.001","90","","90","","90","","3874.1","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C15 H22 F3 N O6 S2 -","- C15 H22 F3 N O6 S2 -","- C120 H176 F24 N8 O48 S16 -","8","1","","Chen, Yue-Lei; Redlich, Hartmut; Bergander, Klaus; Fröhlich, Roland","D-glucosamine trimethylene dithioacetal derivatives: formation of six- and seven-membered ring amino carbasugars. Synthesis of (-)-calystegine B3.","Organic & biomolecular chemistry","2007","5","20","3330","3339","10.1039/b711112f","","","1.54178","CuKα","","0.0499","0.0476","","","0.137","0.1405","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151178","7.119","0.0002","10.6793","0.0003","12.0216","0.0004","90","","90","","90","","913.95","0.05","190","","190","","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E.","Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction.","Organic & biomolecular chemistry","2007","5","19","3190","3200","10.1039/b711171a","","","0.71073","MoKα","","0.0326","0.0289","","0.0383","0.0346","0.0346","","","","","","1.1066","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151179","6.9811","0.0002","7.5933","0.0002","19.5994","0.0006","90","","94.874","0.001","90","","1035.2","0.05","190","","190","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E.","Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction.","Organic & biomolecular chemistry","2007","5","19","3190","3200","10.1039/b711171a","","","0.71073","MoKα","","0.0591","0.0391","","0.0665","0.048","0.048","","","","","","1.0967","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151180","11.412","0.0005","5.887","0.0003","12.379","0.0007","90","","93.337","0.002","90","","830.24","0.07","30","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Br O5 -","- C6 H9 Br O5 -","- C24 H36 Br4 O20 -","4","1","","Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H.","Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate.","Organic & biomolecular chemistry","2007","5","24","4001","4009","10.1039/b711538e","","","0.71073","MoKα","","0.0626","0.0381","","","0.0761","0.0832","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151181","6.239","0.0003","7.228","0.0004","11.171","0.0008","85.342","0.002","82.801","0.002","69.105","0.003","466.56","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 Br O6 -","- C6 H11 Br O6 -","- C12 H22 Br2 O12 -","2","1","","Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H.","Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate.","Organic & biomolecular chemistry","2007","5","24","4001","4009","10.1039/b711538e","","","0.71073","MoKα","","0.0614","0.0379","","","0.0785","0.0877","","","","","","0.96","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151182","7.7577","0.0008","17.7377","0.0019","20.872","0.002","90","","90","","90","","2872.1","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4- epoxypyrrolidine","(2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4-epoxypyrrolidine","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C104 H128 N16 O40 S8 -","8","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0482","0.0384","","","0.0673","0.0699","","","","","","0.914","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151183","11.501","0.003","6.2268","0.0017","19.785","0.006","90","","91.192","0.005","90","","1416.6","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2S,3S,4S)-1-(Toluene-4-sulfonyl)-4-hydroxy-2,3-(oxazin-2- one)-pyrrolidine","(2S,3S,4S)-1-(Toluene-4-sulfonyl)-4-hydroxy-2,3-(oxazin-2-one)-pyrrolidine","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C52 H64 N8 O20 S4 -","4","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.149","0.1123","","","0.2547","0.2799","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151184","7.5443","0.0006","10.6588","0.0009","17.4366","0.0015","90","","90","","90","","1402.1","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(2R,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-bromo-4- hydroxypyrrolidine","(2R,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-bromo-4-hydroxypyrrolidine","","- C12 H16 Br N O4 S -","- C12 H16 Br N O4 S -","- C48 H64 Br4 N4 O16 S4 -","4","1","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0273","0.0255","","","0.0657","0.0661","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151185","7.539","0.004","17.643","0.009","11.223","0.005","90","","100.446","0.008","90","","1468","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4- hydroxypyrrolidine","(2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4-hydroxypyrrolidine","","- C12 H16 N4 O4 S -","- C12 H16 N4 O4 S -","- C48 H64 N16 O16 S4 -","4","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.1458","0.0797","","","0.1331","0.1542","","","","","","0.961","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151186","5.6923","0.0007","15.7807","0.0017","33.089","0.004","90","","90","","90","","2972.3","0.6","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N2 O5 S -","- C6.5 H7.5 N O2.5 S0.5 -","- C52 H60 N8 O20 S4 -","8","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0833","0.0582","","","0.1165","0.1274","","","","","","0.986","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151187","5.098","0.001","14.076","0.002","20.831","0.007","90","","92.82","0.02","90","","1493","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 S2 -","- C14 H14 O6 S2 -","- C56 H56 O24 S8 -","4","1","","Hergué, Noémie; Frère, Pierre","Synthesis of 3,4-alkoxythieno[2,3-b]thiophene derivatives. The first block copolymer associating the 3,4-ethylenedioxythieno[2,3-b]thiophene (EDOThT) unit with 3,4-ethylenedioxythiophene (EDOT) moieties.","Organic & biomolecular chemistry","2007","5","21","3442","3449","10.1039/b712052d","","x-ray","0.71073","MoKα","","","0.0851","","","","0.1718","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151188","7.7573","0.0006","6.5351","0.0005","20.5605","0.0015","90","","93.341","0.002","90","","1040.54","0.14","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S)-3-phenyl-2-((2S)-1-((1S)-1-phenylethyl)piperidin-2- yl)propionate","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","","Hermet, Jean-Paul R; Viterisi, Aurélien; Wright, Jonathan M.; McGrath, Matthew J.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John","Stereocontrolled synthesis and alkylation of cyclic beta-amino esters: asymmetric synthesis of a (-)-sparteine surrogate.","Organic & biomolecular chemistry","2007","5","22","3614","3622","10.1039/b712503h","","","0.71073","MoKα","","0.0431","0.0373","","","0.0846","0.0889","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151189","8.8675","0.0012","12.5714","0.0017","16.873","0.002","77.372","0.003","85.404","0.003","69.451","0.002","1718.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 B Cl3 N6 O4 -","- C36 H24 B Cl3 N6 O4 -","- C72 H48 B2 Cl6 N12 O8 -","2","1","","Xu, Hu; Jiang, Xiong-Jie; Chan, Elaine Y. M.; Fong, Wing-Ping; Ng, Dennis K. P.","Synthesis, photophysical properties and in vitro photodynamic activity of axially substituted subphthalocyanines.","Organic & biomolecular chemistry","2007","5","24","3987","3992","10.1039/b712788j","","","0.71073","MoKα","","0.0875","0.068","","","0.187","0.2073","","","","","","1.02","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151190","11.4449","0.0002","11.8","0.0002","14.6478","0.0002","71.901","0.0006","67.6483","0.0007","76.207","0.0008","1722.68","0.05","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C36 H51 N O3 Si -","- C36 H51 N O3 Si -","- C72 H102 N2 O6 Si2 -","2","2","","Cailleau, Thaïs; Cooke, Jason W. B.; Davies, Stephen G.; Ling, Kenneth B.; Naylor, Alan; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta-amino-gamma-substituted-gamma-butyrolactones: double diastereoselective conjugate addition of homochiral lithium amides to homochiral alpha,beta-unsaturated esters.","Organic & biomolecular chemistry","2007","5","24","3922","3931","10.1039/b712937h","","","0.71073","MoKα","","0.0847","0.0668","","0.103","0.0822","0.0822","","","","","","1.1046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151191","9.593","0.0011","10.5494","0.0013","13.618","0.002","76.415","0.002","85.266","0.002","81.798","0.002","1324.2","0.3","301","1","","","","","","","","","","6","P 1","P 1","1","","","","- C27 H28 Br N2 O3 Re -","- C27 H28 Br N2 O3 Re -","- C54 H56 Br2 N4 O6 Re2 -","2","2","","Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun","Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.","Organic & biomolecular chemistry","2007","5","23","3859","3864","10.1039/b712995e","","","0.71073","MoKα","","","0.028","","","","0.031","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151192","7.893","0.002","14.212","0.003","28.551","0.006","90","","90","","90","","3202.7","1.3","301","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Br N3 O3 Re -","- C34 H35 Br N3 O3 Re -","- C136 H140 Br4 N12 O12 Re4 -","4","1","","Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun","Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.","Organic & biomolecular chemistry","2007","5","23","3859","3864","10.1039/b712995e","","","0.71073","MoKα","","","0.029","","","","0.029","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151193","9.516","0.01","16.66","0.02","6.226","0.004","98.72","0.09","105.35","0.07","98.72","0.11","921.6","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 Cl O10 -","- C16 H21 Cl O10 -","- C32 H42 Cl2 O20 -","2","1","","Yamada, Takeshi; Iritani, Masashi; Ohishi, Hirohumi; Tanaka, Kayo; Minoura, Katsuhiko; Doi, Mitsunobu; Numata, Atsushi","Pericosines, antitumour metabolites from the sea hare-derived fungus Periconia byssoides. Structures and biological activities.","Organic & biomolecular chemistry","2007","5","24","3979","3986","10.1039/b713060k","","","1.54178","CuKα","","0.1701","0.103","","","0.2516","0.2954","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151194","11.3871","0.0016","18.131","0.003","19.855","0.003","90","","90","","90","","4099.3","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N3 O3 -","- C26 H17 N3 O3 -","- C208 H136 N24 O24 -","8","1","","Manpadi, Madhuri; Uglinskii, Pavel Y.; Rastogi, Shiva K.; Cotter, Karen M.; Wong, Yin-Shan C; Anderson, Lisa A.; Ortega, Amber J.; Van Slambrouck, Severine; Steelant, Wim F. A.; Rogelj, Snezna; Tongwa, Paul; Antipin, Mikhail Yu; Magedov, Igor V.; Kornienko, Alexander","Three-component synthesis and anticancer evaluation of polycyclic indenopyridines lead to the discovery of a novel indenoheterocycle with potent apoptosis inducing properties.","Organic & biomolecular chemistry","2007","5","23","3865","3872","10.1039/b713820b","","","0.71073","MoKα","","0.0849","0.0448","","","0.0893","0.1028","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151195","8.401","0.002","10.368","0.003","15.647","0.004","95.41","0.004","95.198","0.006","102.676","0.005","1315","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Anas, S.; John, Jubi; Sajisha, V. S.; John, Joshni; Rajan, Rani; Suresh, E.; Radhakrishnan, K. V.","Iodine assisted palladium catalyzed ring opening of bicyclic hydrazines with organoboronic acids: stereoselective synthesis of functionalized cyclopentenes and alkylidene cyclopentenes.","Organic & biomolecular chemistry","2007","5","24","4010","4019","10.1039/b714921b","","","0.71073","MoKα","","0.193","0.0724","","","0.1485","0.2136","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151196","18.3557","0.0005","10.5375","0.0003","13.167","0.0003","90","","103.55","0.001","90","","2475.91","0.11","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl6 D6 N6 -","- C18 H32 Cl6 N6 -","- C72 H128 Cl24 N24 -","4","0.5","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0452","0.0414","","","0.115","0.1186","","","","","","1.031","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151197","11.1882","0.0002","14.384","0.0003","16.3407","0.0003","90","","104.766","0.001","90","","2542.88","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 B2 N6 -","- C64 H68 B2 N6 -","- C128 H136 B4 N12 -","2","0.5","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0721","0.0578","","","0.1451","0.1547","","","","","","1.027","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151198","18.824","0.0006","13.0677","0.0002","26.2401","0.0007","90","","105.854","0.001","90","","6209.2","0.3","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C77 H80 B2 N6 -","- C77 H80 B2 N6 -","- C308 H320 B8 N24 -","4","1","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0732","0.0564","","","0.1352","0.1483","","","","","","1.005","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151199","8.689","0.0005","8.689","0.0005","17.1794","0.0007","90","","90","","120","","1123.25","0.1","173","2","173","2","","","","","","","synthesis as described","3","P 31 2 1","P 31 2""","152","","","","- C15 H26 N6 -","- C15 H26 N6 -","- C45 H78 N18 -","3","0.5","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0401","0.0339","","","0.0821","0.0856","","","","","","1.081","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7203851","17.123","0.004","9.373","0.003","18.019","0.004","90","","107.43","0.02","90","","2759.2","1.3","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H30 Au2 S6 W2 -","- C20 H30 Au2 S6 W2 -","- C80 H120 Au8 S24 W8 -","4","1","","Lang, Jian-Ping; Yu, Hong; Ji, Shun-Jun; Sun, Zhen-Rong","Synthesis, crystal structure and third-order nonlinear optical (NLO) properties of a novel tetranuclear organometallic cluster [(?5?C5Me5)WS3Au]2","Physical Chemistry Chemical Physics","2003","5","22","5127","","10.1039/b308806e","","","0.7107","MoKα","","","0.0476","","","","0.0514","","","","","","1.552","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204509","7.202","0.001","11.18","0.002","18.192","0.004","90","","100.48","0.03","90","","1440.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N7 O4 S -","- C9 H17 N7 O4 S -","- C36 H68 N28 O16 S4 -","4","1","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.0951","0.0463","","","0.1073","0.1253","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204510","9.4365","0.0005","23.7247","0.0019","7.0598","0.0004","90","","93.656","0.004","90","","1577.32","0.18","150","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N6 O8 S -","- C10 H18 N6 O8 S -","- C40 H72 N24 O32 S4 -","4","0.5","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.1175","0.0542","","","0.1226","0.1445","","","","","","1.027","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204546","8.5807","0.0011","14.25","0.002","12.114","0.002","90","","109.853","0.002","90","","1393.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 Cu N8 O4 -","- C22 H36 Cl2 Cu N8 O4 -","- C44 H72 Cl4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0715","0.0366","","","0.0627","0.0697","","","","","","0.873","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204547","9.036","0.003","12.689","0.004","16.37","0.005","94.62","0.005","97.051","0.005","91.02","0.005","1856","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Br2 Cu N8 O2 -","- C10 H24 Br2 Cu N8 O2 -","- C40 H96 Br8 Cu4 N32 O8 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0807","0.0473","","","0.116","0.136","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204548","10.859","0.004","24.988","0.008","7.662","0.003","90","","96.259","0.005","90","","2066.7","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cl2 Cu N8 O3 -","- C12 H30 Cl2 Cu N8 O3 -","- C48 H120 Cl8 Cu4 N32 O12 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.1471","0.0998","","","0.2367","0.2566","","","","","","1.092","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204549","7.6304","0.001","12.062","0.002","12.964","0.002","71.233","0.002","78.914","0.002","80.827","0.002","1102.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 Br2 Cu N8 O3 -","- C13 H32 Br2 Cu N8 O3 -","- C26 H64 Br4 Cu2 N16 O6 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0492","0.0317","","","0.0717","0.0751","","","","","","0.984","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204550","5.223","0.001","16.539","0.004","11.802","0.003","90","","102.806","0.005","90","","994.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Br2 Cu N8 O4 -","- C10 H28 Br2 Cu N8 O4 -","- C20 H56 Br4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.6942","Synchrotron","","0.0858","0.0586","","","0.0914","0.0967","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204551","5.2682","0.0008","13.403","0.002","11.065","0.002","90","","94.56","0.003","90","","778.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl2 Cu N8 O2 -","- C8 H20 Cl2 Cu N8 O2 -","- C16 H40 Cl4 Cu2 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0557","0.0394","","","0.0931","0.0979","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204552","6.983","0.0011","16.174","0.0017","12.36","0.004","90","","99.31","0.02","90","","1377.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-hydroxyquinolinium salicylate","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","2","","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound","CrystEngComm","2003","5","11","58","","10.1039/b210197c","","","1.5418","CuKα","","0.0367","0.0344","","","0.0998","0.1027","","","","","","0.983","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204555","17.17","0.006","14.26","0.004","24.02","0.008","90","","90","","90","","5881","3","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H40 N2 O3 -","- C32 H40 N2 O3 -","- C256 H320 N16 O24 -","8","2","","Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Monohelical self-assembly of 5-alkoxyisophthalamides","CrystEngComm","2003","5","6","38","","10.1039/b210303f","","","0.71073","MoKα","","0.1395","0.0597","","","0.1208","0.1378","","","","","","1","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204559","5.383","0.001","15.581","0.003","12.685","0.002","90","","101.746","0.004","90","","1041.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cu N10 O8 -","- C12 H8 Cu N10 O8 -","- C24 H16 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","","","0.1057","0.0729","","","0.1831","0.1977","","","","","","1.064","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204560","5.2725","0.0005","15.204","0.0015","13.9432","0.0013","90","","99.532","0.002","90","","1102.3","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H28 B2 Cu F8 N8 O2 -","- C12 H28 B2 Cu F8 N8 O2 -","- C24 H56 B4 Cu2 F16 N16 O4 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","Synchrotron","","0.0508","0.0456","","","0.1135","0.1152","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204561","11.1621","0.0011","16.1935","0.0015","17.328","0.002","83.861","0.002","74.106","0.002","81.143","0.002","2969.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H35 Cu N10 O9 -","- C22.5 H33 Cu N10 O9 -","- C90 H132 Cu4 N40 O36 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.1062","0.0522","","","0.1297","0.1505","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204562","5.03","0.0002","15.4696","0.0002","12.3914","0.0005","90","","95.916","0.002","90","","959.07","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cu N10 O8 -","- C10 H24 Cu N10 O8 -","- C20 H48 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6982","Synchrotron","","0.1056","0.0948","","","0.2457","0.2489","","","","","","1.208","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204563","5.118","0.0006","14.676","0.002","13.913","0.002","90","","99.989","0.002","90","","1029.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 B2 Cu F8 N8 O2 -","- C10 H24 B2 Cu F8 N8 O2 -","- C20 H48 B4 Cu2 F16 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.0356","0.0275","","","0.0747","0.0778","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204564","7.149","0.003","10.468","0.004","11.295","0.003","90","","90","","90","","845.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Co N O6 -","- C5 H7 Co N O6 -","- C20 H28 Co4 N4 O24 -","4","1","","Zhang, Yugen; Saha, Manas K.; Bernal, Ivan","[Cobalt(ii)l-glutamate(H2O)·H2O]∞: a new 3D chiral metal‒organic interlocking network with channels","CrystEngComm","2003","5","5","34","","10.1039/b210753h","","x-ray","0.71073","MoKα","","0.0307","0.0283","","","0.0799","0.081","","","","","","1.188","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204565","8.135","0.002","12.011","0.003","12.048","0.002","79.86","0.01","89.486","0.005","78.146","0.006","1133.7","0.4","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","1","0.5","","Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Saito, Gunzi","Hydrogen-bonded supramolecular (2,2'-bi-1H-benzimidazole)(2-(2-1H-benzimidazolyl)-1H-benzimidazolium+)2(Cl–) as an electron donor in a TCNQ complex","CrystEngComm","2003","5","10","54","","10.1039/b210879h","","","0.7107","MoKα","","","0.059","","","","0.092","","","","","","0.599","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204566","11.689","0.001","14.482","0.001","18.587","0.002","90","","90","","90","","3146.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Ag3 N S8 W2 -","- C16 H36 Ag3 N S8 W2 -","- C64 H144 Ag12 N4 S32 W8 -","4","1","","Zhou, Jian-Liang; Wang, Yu-Xiao; Wang, Yan; Song, Ying-Lin; Zheng, He-Gen; Li, Yi-Zhi; Yang, Lan-Ping; Xin, Xin-Quan","Synthesis, crystal structure and non-linear optical properties of the heterobimetallic polymeric compound {[n-Bu4N][W2Ag3S8]}n","CrystEngComm","2003","5","12","62","","10.1039/b210937a","","","0.71073","MoKα","","0.0568","0.0486","","","0.1269","0.1314","","","","","","1.041","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204570","45.207","0.009","6.465","0.001","7.416","0.001","90","","90","","90","","2167.4","0.6","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine","","- C27 H18 Cl N3 O2 -","- C27 H18 Cl N3 O2 -","- C108 H72 Cl4 N12 O8 -","4","0.5","","Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás","Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal","CrystEngComm","2003","5","7","42","","10.1039/b211206j","","","1.54184","CUkα","","0.0428","0.033","","","0.0904","0.0951","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204571","6.545","0.01","28.28","0.006","11.633","0.002","90","0.003","103.37","0.03","90","0.003","2095","3","100","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O5 -","- C21 H23 Cl N4 O5 -","- C84 H92 Cl4 N16 O20 -","4","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.1062","0.0817","","","0.1836","0.1935","","","","","","1.334","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204572","7.271","0.001","9.144","0.002","16.674","0.003","86.93","0.03","80.92","0.03","85.43","0.03","1090.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25.4 Cl N4 O6.2 -","- C21 H25 Cl N4 O6.2 -","- C42 H50 Cl2 N8 O12.4 -","2","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.0887","0.0534","","","0.0949","0.1081","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204573","12.9719","0.0015","15.119","0.002","16.799","0.003","100.572","0.011","104.897","0.011","113.581","0.01","2761.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H56 O5 -","- C70 H56 O5 -","- C140 H112 O10 -","2","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer – the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1015","0.06","","","0.1571","0.1861","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204574","13.22","0.003","10.568","0.004","15.517","0.004","90","","105.954","0.017","90","","2084.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37.5 N O2 -","- C25 H29 O2 -","- C100 H116 O8 -","4","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1314","0.0589","","","0.1133","0.1407","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204575","5.5028","0.0013","7.0583","0.0016","8.2718","0.0019","70.112","0.004","85.814","0.004","74.095","0.004","290.48","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 N2 O4 -","- C4 H6 N2 O4 -","- C8 H12 N4 O8 -","2","1","","Lewis, T. C.; Tocher, D. A.; Day, G. M.; Price, S. L.","A computational and experimental search for polymorphs of parabanic acid ‒ a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/","CrystEngComm","2003","5","2","3","","10.1039/b211784c","","","0.71073","MoKα","","0.0408","0.0379","","","0.1048","0.1075","","","","","","1.054","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204576","3.8364","0.001","12.916","0.002","12.221","0.003","90","","93.91","0.03","90","","604.2","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl1.032 N0.968 O1.936 -","- C28 H20 Cl2.064 N1.936 O3.872 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1116","0.0727","","","0.1628","0.1783","","","","","","0.865","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204577","3.818","0.0006","13.0067","0.0019","12.478","0.002","90","","94.371","0.019","90","","617.85","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C28 H20 N4 O8 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 – x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1202","0.0608","","","0.1446","0.1632","","","","","","0.802","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204584","8.5187","0.0009","9.8623","0.0011","14.8684","0.0015","90","","90","","90","","1249.2","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","","Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn","Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/","Green Chemistry","2003","5","2","187","","10.1039/b212394k","","","0.71073","MoKα","","0.0677","0.0379","","","0.0862","0.0999","","","","","","1.025","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204585","7.5866","0.0011","10.366","0.002","9.7278","0.0015","90","","107.895","0.002","90","","728","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C40 H28 N8 -","2","0.5","","Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn","Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/","Green Chemistry","2003","5","2","187","","10.1039/b212394k","","","0.71073","MoKα","","0.0627","0.0419","","","0.0912","0.0977","","","","","","0.961","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204586","17.712","0.002","8.7976","0.0008","9.7375","0.0009","90","","90","","90","","1517.3","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn","Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/","Green Chemistry","2003","5","2","187","","10.1039/b212394k","","","0.71073","MoKα","","0.0617","0.0387","","","0.0893","0.0974","","","","","","1.03","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204591","25.6343","0.0006","25.6343","0.0006","31.3646","0.0006","90","","90","","120","","17849","0.7","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H40 N O P3 Pt -","- C43 H40 N O P3 Pt -","- C774 H720 N18 O18 P54 Pt18 -","18","1","","Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.","An organoplatinum molecular hexagon that crystallizes in a hexagonal array","CrystEngComm","2003","5","13","65","","10.1039/b212734b","","","0.71073","MoKα","","0.0598","0.0412","","","0.1185","0.1285","","","","","","1.063","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204594","13.407","0.003","10.039","0.003","17.115","0.007","90","","90.6","0.03","90","","2303.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprim p-toluenesulfonate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-methylbenzene sulfonate","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C84 H104 N16 O24 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0681","0.0412","","","0.1016","0.1158","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204595","17.855","0.004","6.136","0.01","21.349","0.004","90","","109.08","0.003","90","","2210","4","120","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimethoprim sulfanilate monohydrate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-aminobenzene sulfonate","","- C20 H27 N5 O7 S -","- C20 H27 N5 O7 S -","- C80 H108 N20 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0822","0.0631","","","0.1508","0.163","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204596","17.507","0.002","6.323","0.003","21.35","0.002","90","","107.8","0.02","90","","2250.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium) benzenesulfonate, monohydrate.","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium] benzenesulfonate, monohydrate.","","- C20 H26 N4 O7 S -","- C20 H26 N4 O7 S -","- C80 H104 N16 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.156","0.0389","","","0.0671","0.093","","","","","","0.714","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204597","11.442","0.002","18.769","0.003","12.783","0.003","90","","114.18","0.03","90","","2504.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3- carboxy-4-hydroxybenzene sulfonate dihydrate","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3-carboxy-4-hydroxybenzene sulfonate dihydrate","","- C21 H28 N4 O11 S -","- C21 H28 N4 O11 S -","- C84 H112 N16 O44 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.2598","0.0516","","","0.0599","0.0906","","","","","","0.793","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204602","11.761","0.004","16.685","0.006","11.864","0.004","90","","90.504","0.007","90","","2328","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 F12 N4 O2 P2 -","- C14 H24 F12 N4 O2 P2 -","- C56 H96 F48 N16 O8 P8 -","4","1","","Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.","Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13–16th October 2002.","Green Chemistry","2003","5","2","129","","10.1039/b300971h","","","0.71073","MoKα","","0.0695","0.0458","","","0.1165","0.1219","","","","","","1.04","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204603","6.4611","0.0002","16.5436","0.0005","12.1828","0.0004","90","","99.445","0.001","90","","1284.56","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1'-(1,10-decyl)-bis(3-methylimidazolium) hexafluorophosphate","1,1'-(1,10-decyl)-bis(3-methylimidazolium) hexafluorophosphate","","- C18 H32 F12 N4 P2 -","- C18 H32 F12 N4 P2 -","- C36 H64 F24 N8 P4 -","2","0.5","","Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.","Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13–16th October 2002.","Green Chemistry","2003","5","2","129","","10.1039/b300971h","","","0.71073","MoKα","","0.0421","0.0364","","","0.0965","0.1015","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204604","10.086","0.003","12.459","0.003","15.204","0.004","83.209","0.004","84.16","0.004","67.666","0.005","1751.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 Hg N4 O11 S2 -","- C30 H44 Hg N4 O11 S2 -","- C60 H88 Hg2 N8 O22 S4 -","2","1","","Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.","Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.","Green Chemistry","2003","5","2","129","","10.1039/b300971h","","","0.71073","MoKα","","0.0409","0.0369","","","0.0895","0.0909","","","","","","1.016","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204607","6.2565","0.0006","10.8094","0.0005","17.2183","0.0016","106.78","0.006","93.498","0.006","102.78","0.006","1077.49","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 O5 -","- C23 H30 O5 -","- C46 H60 O10 -","2","1","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","1.54184","CuKα","","0.0665","0.0653","","","0.2191","0.2192","","","","","","1.362","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204608","9.8539","0.0001","9.2288","0.0001","33.0868","0.0005","90","","92.658","0.0007","90","","3005.67","0.06","293","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C144 H152 O24 -","4","2","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","0.71073","MoKα","","0.0387","0.0328","","","0.0656","0.0673","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204610","12.588","0.003","11.726","0.002","8.987","0.0018","90","","90","","90","","1326.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co F2 O6 -","- C14 H11 Co F2 O6 -","- C56 H44 Co4 F8 O24 -","4","0.5","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0692","0.0433","","","0.1155","0.1311","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204611","7.833","0.0016","11.696","0.002","14.435","0.003","90","","100.13","0.03","90","","1301.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co F O6 -","- C14 H12 Co F O6 -","- C56 H48 Co4 F4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0681","0.0437","","","0.1115","0.1264","","","","","","1.021","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204612","7.452","0.003","12.949","0.003","14.886","0.005","90","","102.36","0.03","90","","1403.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl Co O6 -","- C14 H12 Cl Co O6 -","- C56 H48 Cl4 Co4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0433","0.0391","","","0.1051","0.1085","","","","","","1.07","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204616","5.0842","0.0008","5.4202","0.0009","18.831","0.003","90","","94.126","0.004","90","","517.59","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3'-DPTZ","3,6-Di-pyridin-3-yl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π–π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0769","0.0386","","","0.0838","0.0972","","","","","","0.878","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204617","5.0029","0.0009","5.4035","0.001","18.788","0.004","90","","92.776","0.004","90","","507.3","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π–π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0583","0.0439","","","0.1202","0.1303","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204618","12.968","0.002","5.596","0.001","6.813","0.001","90","","92.099","0.003","90","","494.08","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-pyrazyl-tetrazine","3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 N8 -","- C10 H6 N8 -","- C20 H12 N16 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π–π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0368","0.0346","","","0.1","0.1017","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204619","10.0506","0.0015","10.3341","0.0014","11.1873","0.0016","66.406","0.003","89.958","0.003","71.145","0.002","996.5","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag Cl N0 O4 S2 -","- C18 H22 Ag Cl O4 S2 -","- C36 H44 Ag2 Cl2 O8 S4 -","2","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0899","0.0543","","","0.1229","0.1404","","","","","","0.943","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204620","12.5416","0.0007","9.1826","0.0005","17.4612","0.001","90","","99.573","0.001","90","","1982.91","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag N O3 S2 -","- C18 H22 Ag N O3 S2 -","- C72 H88 Ag4 N4 O12 S8 -","4","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0294","0.0252","","","0.0698","0.0731","","","","","","1.076","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204621","11.5428","0.0002","12.485","0.0002","18.4962","0.0003","97.196","0.0006","106.027","0.0006","107.916","0.0006","2372.42","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H54 B20 N2 O19 W5 -","- C18 H54 B20 N2 O19 W5 -","- C36 H108 B40 N4 O38 W10 -","2","1","","Macías, Ramón; Kennedy, John D.; Thornton-Pett, Mark; Román, Pascual","The 'globule‒globule' hybrid dicarbaborane‒polyoxometallate salt, [C2B10H11CH2NHCH(CH3)2]4[W10O32][H2O]2[(CH3)2CO]4","CrystEngComm","2003","5","19","93","","10.1039/b302341a","","","0.71073","MoKα","","0.0399","0.0369","","","0.0949","0.098","","","","","","1.082","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204622","10.1635","0.0016","19.999","0.003","20.833","0.003","90","","103.159","0.003","90","","4123.3","1.1","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl2 Fe N6 Ni O16.5 -","- C29 H30 Cl2 Fe N6 Ni O16.5 -","- C116 H120 Cl8 Fe4 N24 Ni4 O66 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.2003","0.0733","","","0.1789","0.2366","","","","","","0.877","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204623","10.4651","0.0005","18.6142","0.001","20.3093","0.0011","90","","102.868","0.001","90","","3856.9","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H40 Cl2 Fe N6 Ni O17 -","- C31 H26 Cl2 Fe N6 Ni O17 -","- C124 H104 Cl8 Fe4 N24 Ni4 O68 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.064","0.044","","","0.123","0.1343","","","","","","1.059","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204624","10.4799","0.0004","19.5611","0.0006","20.0708","0.0007","90","","103.669","0.001","90","","3997.9","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 Cl2 Fe N7 Ni O18 -","- C30 H29 Cl2 Fe N7 Ni O18 -","- C120 H116 Cl8 Fe4 N28 Ni4 O72 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.0581","0.0396","","","0.104","0.1123","","","","","","1","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204625","9.7081","0.0013","19.095","0.003","18.094","0.002","90","","98.035","0.003","90","","3321.3","0.8","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl3 Fe N8 Ni O4 S2 -","- C27 H16 Cl3 Fe N8 Ni O4 S2 -","- C108 H64 Cl12 Fe4 N32 Ni4 O16 S8 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1197","0.0675","","","0.1897","0.2175","","","","","","1.043","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204626","14.9691","0.0006","14.9691","0.0006","30.3224","0.0017","90","","90","","90","","6794.5","0.5","200","2","200","2","","","","","","","","8","I -4","I -4","82","","","","- C25 H23.5 Br Cl Fe N6 Ni O10.75 -","- C25 H16 Br Cl Fe N6 Ni O10.75 -","- C200 H128 Br8 Cl8 Fe8 N48 Ni8 O86 -","8","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.132","0.0675","","","0.1563","0.1825","","","","","","0.946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204627","32.323","0.003","17.0606","0.0014","20.7616","0.0017","90","","90","","90","","11449","1.7","200","2","200","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H75 Cl19 Fe5 N18 O37 -","- C79 H48 Cl19 Fe5 N18 O37 -","- C316 H192 Cl76 Fe20 N72 O148 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1567","0.0787","","","0.2145","0.2617","","","","","","1.027","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204628","8.9267","0.0006","12.2683","0.0008","13.3292","0.0009","90.215","0.002","101.813","0.002","97.288","0.002","1416.63","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H43 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","1","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1241","0.0616","","","0.1428","0.1688","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204629","32.999","0.002","17.1473","0.0011","20.9802","0.0013","90","","90","","90","","11871.5","1.3","200","2","200","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39 -","- C78.5 H48 Cl17.5 Fe2 N18 Ni3 O39 -","- C314 H192 Cl70 Fe8 N72 Ni12 O156 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1578","0.0854","","","0.2488","0.2994","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204631","11.564","0.002","16.393","0.003","16.793","0.003","90","","90","","90","","3183.4","1","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","","- C36 H36 N2 O4 -","- C36 H36 N2 O4 -","- C144 H144 N8 O16 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.0979","0.0666","","","0.1802","0.2048","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204632","11.377","0.002","15.982","0.003","16.191","0.003","90","","90","","90","","2944","0.9","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","","- C34 H34 O4 S2 -","- C34 H34 O4 S2 -","- C136 H136 O16 S8 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.1096","0.097","","","0.206","0.2108","","","","","","1.226","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204634","14.218","0.003","41.861","0.008","17.664","0.004","90","","106.29","0.03","90","","10091","4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H98 N4 O62 -","- C96 H98 N4 O62 -","- C384 H392 N16 O248 -","4","1","","Almeida Paz, Filipe A.; Klinowski, Jacek","Supramolecular architecture of a novel salt of trimesic acid and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2003","5","41","238","","10.1039/b302949b","","","0.71073","MoKα","","0.1061","0.0588","","","0.1349","0.1586","","","","","","1.044","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204640","12.8274","0.0007","12.8274","0.0007","14.2567","0.0007","90","","90","","90","","2345.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C18 H15 Cr N12 O4 S -","- C18 H12 Cr N12 O4 S -","- C72 H48 Cr4 N48 O16 S4 -","4","0.5","","Krister Larsson; Lars Öhrström","A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes","CrystEngComm","2003","5","38","222","225","10.1039/b303107a","","x-ray","0.924","synchrotron","","0.0707","0.0692","","","0.1969","0.2001","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204642","26.361","0.013","6.777","0.003","15.553","0.008","90","","95.44","0.008","90","","2766","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C120 H104 N40 O24 -","8","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid–bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.1436","0.0662","","","0.1474","0.176","","","","","","0.898","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204643","19.174","0.003","6.7825","0.001","32.748","0.005","90","","91.246","0.003","90","","4257.8","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C180 H156 N60 O36 -","12","1.5","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid–bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.0901","0.0568","","","0.1425","0.1563","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204644","13.3658","0.0002","19.5386","0.0003","24.7121","0.0004","85.67","","84.58","","88.38","","6404.9","0.17","90","1","90","1","","","","","","","","4","P -1","-P 1","2","bis-(tetraphenylporphirinate Zn(ii))pyrazine fullerene molecular complex","bis-(tetraphenylporphirinate Zn(II))pyrazine fullerene molecular complex","","- C190.5 H98.02 N10.66 Zn2 -","- C190.5 H98.02 N10.66 Zn2 -","- C381 H196.04 N21.32 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Coppens, Philip; Lyubovskaya, Rimma N.","Synthesis and crystal structure of a new supramolecular complex: [(ZnTPP)2Prz]�C60�5.34C7H8�0.66C6H5CNElectronic supplementary information (ESI) available: charaterisation for compound 1. See http://www.rsc.org/suppdata/ce/b3/b303415a/","CrystEngComm","2003","5","25","137","","10.1039/b303415a","","","0.71073","MoKα","","0.0775","0.0625","","","0.1729","0.1831","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204645","9.142","0.0002","9.6756","0.0002","19.9513","0.0005","79.184","0.001","83.998","0.001","68.436","0.001","1610.88","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","3-(2,7-Dibromo-fluoren-9-ylidene)-2-(9-(3-oxo-3-phenyl-prop-1- ynyl)-9H-fluoren-9-yl)-1-phenyl-propenone","3-(2,7-Dibromo-fluoren-9-ylidene)-2-[9-(3-oxo-3-phenyl-prop-1-ynyl)- 9H-fluoren-9-yl]-1-phenyl-propenone","","- C44 H24 Br2 O2 -","- C44 H24 Br2 O2 -","- C88 H48 Br4 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.0928","0.0523","","","0.1191","0.1338","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204646","9.5423","0.0002","9.8723","0.0002","20.2727","0.0004","83.159","0.001","87.31","0.001","76.521","0.001","1843.59","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","2-(2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9- yl)-3-fluoren-9-ylidene-1-phenyl-propenone","2-[2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9-yl]-3- fluoren-9-ylidene-1-phenyl-propenone","","- C45 H25 Br2 Cl3 O2 -","- C45 H25 Br2 Cl3 O2 -","- C90 H50 Br4 Cl6 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.139","0.0635","","","0.1564","0.1799","","","","","","1.068","","","","has coordinates","275182","2022-05-07","01:28:21",""
"7204650","6.317","0.004","9.643","0.005","12.877","0.007","90","","92.574","0.009","90","","783.6","0.8","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexaaquairon(ii)-H2piperazinedium-bis(hydrogenphosphate)","Hexaaquairon(II)-H2piperazinedium-bis(hydrogenphosphate)","","- C4 H26 Fe N2 O14 P2 -","- C4 H26 Fe N2 O14 P2 -","- C8 H52 Fe2 N4 O28 P4 -","2","0.5","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0471","0.033","","","0.0819","0.0875","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204651","9.815","0.002","9.7225","0.0019","9.877","0.002","90","","102.87","0.03","90","","918.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium-(aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(iii))-hydrate","Ammonium-[aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(III)]-hydrate","","- Fe2 H9 N O11 P2 -","- Fe2 H9 N O11 P2 -","- Fe8 H36 N4 O44 P8 -","4","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0416","0.0369","","","0.099","0.1044","","","","","","1.089","","","","has coordinates","297168","2025-01-07","09:57:42",""
"7204652","6.3554","0.0016","9.166","0.002","15.311","0.004","90.27","0.004","91.338","0.004","106.594","0.004","854.5","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(iii)-0.25hydrate","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(III)-0.25hydrate","","- C4 H13 Fe3 N2 O17.25 P4 -","- C4 H13 Fe3 N2 O17.25 P4 -","- C8 H26 Fe6 N4 O34.5 P8 -","2","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0617","0.0419","","","0.0955","0.1054","","","","","","1.055","","","","has coordinates,has disorder","297168","2025-01-07","09:57:42",""
"7204653","5.912","0.001","8.043","0.001","25.07","0.002","90","","90","","90","","1192.1","0.3","293","2","293","2","","","","","","","","3","P b c 21","P 2c -2b","29","cis-2-benzoyl-3-hydroxy-2,3-dihydrobenzofuran (8a)","cis-2-benzoyl-3-hydroxy-2,3-dihydrobenzofuran (8a)","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Kazuhiro Yoshizawa; Shinji Toyota; Fumio Toda; Ingeborg Csöregh","Preparative and mechanistic studies of solvent-free Rap–Stoermer reactions","Green Chem.","2003","5","3","353","356","10.1039/b303802p","","","0.71073","MoKa","","0.0532","0.0411","","0.1043","0.102","","","","1.06","1.092","1.092","","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204659","8.4989","0.0003","10.4456","0.0004","19.6071","0.0007","102.094","0.001","95.528","0.001","99.56","0.002","1662.78","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H104 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","1","0.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.7107","MoKα","","0.103","0.0524","","","0.1258","0.1468","","","","","","1.034","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204660","8.581","0.0001","16.348","0.0002","27.262","0.0005","103.653","0.001","92.683","0.001","101.473","0.001","3624.36","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H86.66667 N6 O5.33333 S2 -","- C42 H86.6667 N6 O5.33333 S2 -","- C126 H260 N18 O16 S6 -","3","1.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71073","MoKα","","0.083","0.0489","","","0.1087","0.1246","","","","","","1.015","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7204661","16.788","0.0002","17.06","0.0002","18.313","0.0003","90","","90","","90","","5244.9","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H44 Br N5 S2 -","- C18 H44 Br N5 S2 -","- C144 H352 Br8 N40 S16 -","8","1","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71069","MoKα","","0.0752","0.0455","","","0.1113","0.1303","","","","","","1.041","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204662","6.0729","0.0001","9.4013","0.0002","20.6723","0.0004","90","","95.287","0.001","90","","1175.23","0.04","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0682","0.0411","","","0.0934","0.1056","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204663","7.0307","0.0001","10.7052","0.0002","11.9562","0.0002","87.755","0.001","82.735","0.001","73.835","0.001","857.36","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of resorcinol and isonicotinamide","1:2 molecular complex of resorcinol and isonicotinamide","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0623","0.0413","","","0.1043","0.1154","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204664","7.4967","0.0001","8.8748","0.0001","15.2793","0.0003","95.1886","0.0006","97.479","0.0006","105.77","0.0007","961.5","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C36 H44 N8 O14 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0467","0.0363","","","0.0926","0.0988","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204665","14.2811","0.0004","5.4136","0.0002","11.911","0.0003","90","","111.934","0.001","90","","854.21","0.05","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:2 molecular complex of hydroquinone and isonicotinamide","1:2 molecular complex of hydroquinone and isonicotinamide","","- C9 H9 N2 O2 -","- C9 H9 N2 O2 -","- C36 H36 N8 O8 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0832","0.0442","","","0.0957","0.1131","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204666","21.731","0.004","10.588","0.002","11.685","0.002","90","","110.5","0.03","90","","2518.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Fe N4 O4 S -","- C26 H28 Fe N4 O4 S -","- C104 H112 Fe4 N16 O16 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0732","0.0358","","0.0817","0.0739","","","","0.895","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204667","6.8307","0.001","6.8307","0.001","14.404","0.002","90","","90","","90","","672.07","0.17","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C12 H8 Cd N2 O4 S -","- C12 H8 Cd N2 O4 S -","- C24 H16 Cd2 N4 O8 S2 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0231","0.0208","","0.0483","0.0479","","","","1.044","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204668","9.399","0.003","9.496","0.003","10.073","0.004","62.11","0.02","89.18","0.02","73","0.02","751.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cu N2 O7 S -","- C12 H12 Cu N2 O7 S -","- C24 H24 Cu2 N4 O14 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0739","0.0439","","0.1312","0.1199","","","","1.082","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204669","23.35","0.011","19.882","0.009","13.644","0.006","90","","106.29","0.02","90","","6080","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Co2 N6 O10 S2 -","- C38 H42 Co2 N6 O10 S2 -","- C152 H168 Co8 N24 O40 S8 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1023","0.0679","","0.1921","0.1807","","","","0.939","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204670","21.485","0.003","27.235","0.004","26.925","0.004","90","","90.24","0.01","90","","15755","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H152 N20 Ni6 O40 S6 -","- C120 H120 N20 Ni6 O40 S6 -","- C480 H480 N80 Ni24 O160 S24 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1647","0.1123","","0.3173","0.2802","","","","0.881","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204671","8.4317","0.0017","10.439","0.002","11.313","0.002","90","","90","","90","","995.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-butyl-3-methylimidazolium fluoride monohydrate","","","- C8 H17 F N2 O -","- C8 H17 F N2 O -","- C32 H68 F4 N8 O4 -","4","1","","Swatloski, Richard P.; Holbrey, John D.; Rogers, Robin D.","Ionic liquids are not always green: hydrolysis of 1-butyl-3-methylimidazolium hexafluorophosphate","Green Chemistry","2003","5","4","361","","10.1039/b304400a","","","0.71073","MoKα","","0.0288","0.0253","","","0.0606","0.0631","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204675","15.2583","0.001","9.7626","0.0008","8.294","0.0005","90","","97.46","0.008","90","","1225.02","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe O2 -","- C14 H18 Fe O2 -","- C56 H72 Fe4 O8 -","4","1","","Michael Schmittel; Mukul Lal; Marc Schlosser; Hans-Jörg Deiseroth","Unusual ladder-like supramolecular arrangement by cooperative effect of bifurcated O‒HO hydrogen bonding in crystals of racemic 4-ferrocenylbutan-1,2-diol","CrystEngComm","2003","5","50","294","299","10.1039/b304427k","","","0.71073","MoKα","","0.0354","0.027","","","0.0674","0.0697","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204676","8.06","0.0002","15.039","0.0004","16.817","0.0006","83.761","0.001","77.324","0.0011","88.522","0.002","1976.99","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H36 Cl3.5 N5 O3 -","- C46.417 H34.434 Cl3.416 N5 O3 -","- C92.834 H68.868 Cl6.832 N10 O6 -","2","1","","Vinodu, Mikki; Goldberg, Israel","New assembly modes of porphyrin-based networks","CrystEngComm","2003","5","36","204","","10.1039/b304665f","","","0.71073","MoKα","","0.1054","0.0661","","","0.1686","0.1933","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204677","5.2961","0.0002","7.8521","0.0003","7.9506","0.0004","90.03","0.002","106.037","0.002","95.972","0.003","315.89","0.02","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H8 Li N O4 -","- C5 H8 Li N O4 -","- C10 H16 Li2 N2 O8 -","2","2","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium l-hydrogen-?-glutamate: A layer structure with asymmetrical tunnels formed by nets with two different macrocycles","CrystEngComm","2003","5","45","262","","10.1039/b304689c","","","0.71073","MoKα","","0.0278","0.0262","","","0.0614","0.0627","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204678","10.423","0.004","7.033","0.003","8.951","0.004","90","","90","","90","","656.2","0.5","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","4-ethynylaniline","4-ethynylaniline","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0605","0.0544","","","0.1528","0.1641","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204679","8.594","0.002","7.6166","0.0019","9.469","0.002","90","","90","","90","","619.8","0.2","203","2","203","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4-bromoaniline","4-bromoaniline","","- C6 H5 Br N -","- C6 H5 Br N -","- C24 H20 Br4 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0581","0.037","","","0.0929","0.1071","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204680","8.422","0.007","4.965","0.004","8.645","0.007","90","","109.79","0.013","90","","340.1","0.5","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-iodoaniline","4-iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C12 H12 I2 N2 -","2","1","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0423","0.0391","","","0.0958","0.0974","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204682","6.961","0.001","14.442","0.003","7.434","0.001","90","","92.02","0.03","90","","746.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Co N O5 -","- C5 H6 Co N O5 -","- C20 H24 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71069","MoKα","","0.0774","0.036","","","0.0826","0.0934","","","","","","1.002","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204683","6.9461","0.0012","14.269","0.003","7.432","0.001","90","","92.232","0.016","90","","736.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N O5 Zn -","- C5 H6 N O5 Zn -","- C20 H24 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.136","0.0518","","","0.0857","0.0969","","","","","","0.923","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204684","16.802","0.002","6.8884","0.0004","7.4787","0.0011","90","","115.119","0.01","90","","783.72","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 Co N O5 -","- C5 H4.5 Co N O5 -","- C20 H18 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0793","0.0747","","","0.1915","0.1962","","","","","","1.144","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204685","16.546","0.002","6.929","0.0005","7.4783","0.0008","90","","113.472","0.005","90","","786.42","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 N O5 Zn -","- C5 H4 N O5 Zn -","- C20 H16 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0563","0.0411","","","0.1137","0.1218","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204686","7.481","0.0006","12.2434","0.001","10.8863","0.0009","90","","108.526","0.002","90","","945.44","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C28 H44 Hg4 N4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.041","0.031","","","0.065","0.069","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204687","12.3186","0.0014","12.7707","0.0015","12.3438","0.0013","90","","91.394","0.002","90","","1941.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C56 H88 Hg8 N8 S16 -","8","2","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.116","0.055","","","0.109","0.131","","","","","","0.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204688","11.1294","0.0007","8.9365","0.0006","25.7799","0.0016","90","","90","","90","","2564","0.3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Hg N S2 -","- C12 H13 Hg N S2 -","- C96 H104 Hg8 N8 S16 -","8","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.047","0.032","","","0.068","0.073","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204690","8.6181","0.0016","15.486","0.003","13.996","0.003","90","","93.97","0.003","90","","1863.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H30 N15 P3 -","- C6 H30 N15 P3 -","- C24 H120 N60 P12 -","4","1","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0312","0.0293","","","0.0798","0.081","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204691","17.227","0.003","31.187","0.006","8.3154","0.0017","90","","90.91","0.03","90","","4467","1.5","150","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N11 O2 P3 -","- C16 H28 N11 O2 P3 -","- C128 H224 N88 O16 P24 -","8","2","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0799","0.0591","","","0.1392","0.1559","","","","","","0.975","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204692","8.5038","0.001","8.8887","0.001","11.5366","0.0013","93.953","0.002","107.892","0.002","92.848","0.002","825.57","0.16","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","1","0.5","","Neve, Francesco; Crispini, Alessandra","N,N?-Dodecamethylene-bis(pyridinium) goes lamellar. Role of C?H?I, C?H?M, and I?I interactions in the crystal structure of its hexaiododipalladate(II) derivativeElectronic supplementary information (ESI) available: Figure S1, Table S1. See http://www.rsc.org/suppdata/ce/b3/b305804b/","CrystEngComm","2003","5","46","265","","10.1039/b305804b","","","0.71073","MoKα","","0.0509","0.0402","","","0.1041","0.112","","","","","","0.942","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204697","16.248","0.004","19.603","0.004","26.44","0.008","90","","90","","90","","8421","4","294","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Fe Hg I4 N7 O -","- C40 H29 Fe Hg I4 N7 O -","- C320 H232 Fe8 Hg8 I32 N56 O8 -","8","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.043","","","","0.047","","","","","","1.34","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204698","11.2","0.002","13.028","0.003","14.62","0.003","87.378","0.003","75.441","0.003","83.887","0.003","2052.6","0.7","150","","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H32 Fe Hg I4 N6 O2 -","- C78 H64 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.024","","","","0.037","","","","","","1.28","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204699","11.384","0.005","12.659","0.006","14.885","0.007","89.37","0.02","73.79","0.03","84.19","0.04","2048.9","1.7","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H30 Fe Hg I4 N6 O2 -","- C78 H60 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.05","","","","0.059","","","","","","1.86","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204700","11.585","0.006","12.543","0.007","17.013","0.008","70.16","0.03","76.87","0.03","84.26","0.03","2264","2","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C84 H76 Fe2 Hg2 I8 N16 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.043","","","","","","1.4","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204701","9.709","0.004","9.885","0.004","10.814","0.005","76.06","0.02","83.63","0.02","87.07","0.03","1000.8","0.7","294","","","","","","","","","","","7","P 1","P 1","1","","","","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","1","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.061","","","","0.068","","","","","","1.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204702","10.18","0.006","17.079","0.007","23.62","0.008","90","","97.22","0.03","90","","4074","3","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Fe Hg I4 N6 O1.5 -","- C36 H24 Fe Hg I4 N6 O1.5 -","- C144 H96 Fe4 Hg4 I16 N24 O6 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.63","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204703","19.18","0.006","19.465","0.003","13.492","0.004","90","","109.44","0.01","90","","4750","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C168 H152 Fe4 Hg4 I16 N32 O8 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.042","","","","","","1.3","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204704","11.442","0.011","12.816","0.007","14.937","0.009","82.22","0.04","81.78","0.04","82.97","0.04","2136","3","294","","","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H32 Fe Hg I4 N6 O2 S -","- C38 H30 Fe Hg I4 N6 O2 S -","- C76 H60 Fe2 Hg2 I8 N12 O4 S2 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.071","","","","0.088","","","","","","1.67","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204705","10.3426","0.0015","10.3426","0.0015","8.9709","0.0018","90","","90","","120","","831","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dilanthanum(iii)octahydrate","tris(galactarato)dilanthanum(III)octahydrate","","- C18 H40 La2 O32 -","- C18 H12 La2 O32.232 -","- C18 H12 La2 O32.232 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0228","0.0228","","","0.0596","0.0596","","","","","","1.156","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204706","10.288","0.0015","10.288","0.0015","8.9427","0.0018","90","","90","","120","","819.7","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dicerium(iii)octahydrate","tris(galactarato)dicerium(III)octahydrate","","- C18 H40 Ce2 O32 -","- C18 H12 Ce2 O31.296 -","- C18 H12 Ce2 O31.296 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0229","0.0229","","","0.0596","0.0596","","","","","","1.144","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204707","10.2182","0.0014","10.2182","0.0014","8.9084","0.0018","90","","90","","120","","805.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dipraseodymium(iii)octahydrate","tris(galactarato)dipraseodymium(III)octahydrate","","- C18 H40 O32 Pr2 -","- C18 H12 O32.58 Pr2 -","- C18 H12 O32.58 Pr2 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0315","0.0314","","","0.0773","0.0773","","","","","","1.081","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204708","10.2151","0.0014","10.2151","0.0014","8.9021","0.0018","90","","90","","120","","804.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dineodymium(iii)octahydrate","tris(galactarato)dineodymium(III)octahydrate","","- C18 H40 Nd2 O32 -","- C18 H12 Nd2 O32.148 -","- C18 H12 Nd2 O32.148 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0212","0.0211","","","0.0565","0.0565","","","","","","1.142","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204709","10.8647","0.0009","19.681","0.0016","19.974","0.0017","90","","90","","90","","4271","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dineodymium(iii)decahydrate","tetraaquotris(galactarato)dineodymium(III)decahydrate","","- C18 H52 Nd2 O38 -","- C18 H12 Nd2 O38 -","- C72 H48 Nd8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0769","0.0503","","","0.1016","0.1102","","","","","","1.086","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204710","10.761","0.004","19.427","0.007","19.681","0.007","90","","90","","90","","4114","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dieuropium(iii)decahydrate","tetraaquotris(galactarato)dieuropium(III)decahydrate","","- C18 H52 Eu2 O38 -","- C18 H12 Eu2 O38 -","- C72 H48 Eu8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.114","0.071","","","0.1249","0.1384","","","","","","1.145","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204715","11.049","0.002","9.568","0.002","8.767","0.002","90","","102.35","0.01","90","","905.4","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C48 H36 Fe4 -","2","0.5","","Maharaj, Felicia; McDonagh, Andrew; Scudder, Marcia; Craig, Don; Dance, Ian","Crystal packing principles for ferrocenyl groups linked by polyyne chains: dimorphism of Fc-C4-Fc","CrystEngComm","2003","5","53","305","","10.1039/b307082d","","","0.71073","MoKα","","","0.025","","","","0.038","","","","","","1.47","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204716","13.1315","0.001","14.2151","0.0011","14.6358","0.0011","109.428","0.001","112.98","0.001","97.464","0.002","2263.3","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N2 O8 -","- C55 H52 N2 O8 -","- C110 H104 N4 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0559","0.0406","","","0.0952","0.0984","","","","","","0.933","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204717","17.4271","0.0011","13.5493","0.0008","21.605","0.0014","90","","95.172","0.002","90","","5080.7","0.5","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 N2 O8 -","- C62 H60 N2 O8 -","- C248 H240 N8 O32 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1109","0.0474","","","0.0743","0.0836","","","","","","0.717","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204718","11.5406","0.0006","14.0385","0.0008","15.682","0.0009","71.78","0.001","75.01","0.001","65.873","0.001","2177.2","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N2 O9 -","- C52 H56 N2 O9 -","- C104 H112 N4 O18 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0662","0.0532","","","0.1194","0.1276","","","","","","1.061","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204719","20.7807","0.0017","16.339","0.0014","15.4817","0.0013","90","","98.073","0.002","90","","5204.5","0.8","116","2","116","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 N4 O9 -","- C63 H65 N4 O9 -","- C252 H260 N16 O36 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0942","0.0565","","","0.146","0.1701","","","","","","1.02","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204720","15.9821","0.0016","14.3963","0.0015","23.765","0.002","90","","90","","90","","5467.9","0.9","116","2","116","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H34 N2 O4.5 -","- C33 H34 N2 O4.5 -","- C264 H272 N16 O36 -","8","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0978","0.0686","","","0.1871","0.2052","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204721","11.7903","0.0008","14.9265","0.001","15.6196","0.0011","94.159","0.001","92.529","0.001","100.758","0.001","2688.8","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H64 N4 O8 -","- C65 H64 N4 O8 -","- C130 H128 N8 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1021","0.073","","","0.1476","0.1614","","","","","","1.081","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204722","10.3752","0.0005","12.2621","0.0006","20.1337","0.001","95.181","0.001","103.948","0.001","94.166","0.001","2463.9","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N3 O8 -","- C62 H50 N3 O8 -","- C124 H100 N6 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0656","0.0538","","","0.1272","0.1354","","","","","","1.064","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204723","11.1453","0.0005","24.728","0.0012","13.097","0.0006","90","","102.415","0.001","90","","3525.1","0.3","116","2","116","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H41.25 N2 O5.25 -","- C42.75 H41.5 N2 O5.25 -","- C171 H166 N8 O21 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0911","0.0774","","","0.2096","0.2236","","","","","","0.916","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204729","6.358","0.002","8.744","0.003","13.594","0.007","90","","90","","90","","755.7","0.5","173","2","173","2","","","","","","","","5","P m n b","-P 2bc 2a","62","2-Chlorocarboxypyridinium Chloride","2-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","0.5","","Kalle I. Nättinen; Kari Rissanen","Chloride–hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0324","0.0308","","","0.0758","0.0767","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204730","7.2695","0.0005","4.9453","0.0003","20.2207","0.0016","90","","95.99","0.003","90","","722.96","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-Chlorocarboxypyridinium Chloride","3-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride–hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71073","MoKα","","0.0496","0.0357","","","0.083","0.0896","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204731","7.223","0.003","4.962","0.002","20.324","0.009","90","","97.06","0.001","90","","722.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chlorocarboxypyridinium Chloride","4-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride–hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0342","0.0283","","","0.0696","0.073","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204732","11.8327","0.0005","7.6628","0.0005","14.1769","0.0007","90","","138.21","0.003","90","","856.62","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Methylthio)thioxomethyl] Alanine","","- C5 H9 N O2 S2 -","- C5 H9 N O2 S2 -","- C20 H36 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0911","0.0497","","","0.1134","0.1324","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204733","8.8922","0.0014","7.4758","0.0016","14.305","0.002","90","","99.742","0.011","90","","937.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Ethylthio)thioxomethyl] Alanine","","- C6 H11 N O2 S2 -","- C6 H11 N O2 S2 -","- C24 H44 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1013","0.0505","","","0.1027","0.121","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204734","13.198","0.004","7.613","0.002","11.927","0.004","90","","116.71","0.01","90","","1070.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Isopropylthio)thioxomethyl] Alanine","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C28 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1638","0.0744","","","0.1749","0.2184","","","","","","1.01","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204735","14.046","0.002","10.84","0.001","8.852","0.001","90","","107.97","0.01","90","","1282","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Benzylthio)thioxomethyl] Alanine","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C44 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0716","0.0429","","","0.0994","0.1124","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204740","7.9431","0.0006","13.2946","0.0008","7.6992","0.0004","90","","104.125","0.004","90","","788.46","0.09","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br2 N -","- C6 H7 Br2 N -","- C24 H28 Br8 N4 -","4","1","","Jones, Peter G.; Vancea, Fabiola","Unexpected isostructurality by permutation of classical and ?weak? hydrogen bonds","CrystEngComm","2003","5","52","303","","10.1039/b309038h","","","0.71073","MoKα","","0.0229","0.0195","","","0.048","0.0488","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204741","6.7526","0.0012","8.1793","0.0015","14.806","0.003","92.114","0.004","93.148","0.004","99.358","0.004","804.8","0.3","150","5","150","5","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C20 H20 Cl12 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0974","0.0496","","","0.0936","0.1091","","","","","","0.983","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204742","6.8163","0.0007","8.9754","0.001","13.7869","0.0015","86.386","0.002","85.454","0.002","86.873","0.002","838.1","0.16","150","5","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Co N2 -","- C10 H10 Br2 Cl4 Co N2 -","- C20 H20 Br4 Cl8 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.047","0.038","","","0.0946","0.0988","","","","","","0.986","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204743","6.983","0.0007","16.1749","0.0016","15.7849","0.0015","90","","96.306","0.002","90","","1772.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co I2 N2 -","- C10 H10 Cl4 Co I2 N2 -","- C40 H40 Cl16 Co4 I8 N8 -","4","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0668","0.0362","","","0.0585","0.0653","","","","","","0.926","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204752","10.771","0.003","11.201","0.003","11.612","0.004","96.211","0.005","111.392","0.005","94.957","0.005","1284.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(2-hydroxypropyl)-3-methylimidazolium tetraphenylborate","","- C31 H33 B N2 O -","- C31 H33 B N2 O -","- C62 H66 B2 N4 O2 -","2","1","","Holbrey, John D.; Turner, Megan B.; Reichert, W. Matthew; Rogers, Robin D.","New ionic liquids containing an appended hydroxyl functionality from the atom-efficient, one-pot reaction of 1-methylimidazole and acid with propylene oxide","Green Chemistry","2003","5","6","731","","10.1039/b311717k","","","0.71073","MoKα","","0.0479","0.0403","","","0.1097","0.1153","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204892","12.7989","0.0006","13.3927","0.0007","11.2746","0.0005","94.064","0.002","96.445","0.003","61.588","0.002","1688.74","0.14","296.2","","","","","","","","","","","6","P -1","-P 1","2","(Cu(Me-tri)2)(Ni(dmit)2)2","","","- C60 H42 Cu N6 Ni2 S20 -","- C60 H42 Cu N6 Ni2 S20 -","- C60 H42 Cu N6 Ni2 S20 -","1","0.5","","Sakai, Ken-ichi; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi","The d-L(?)-? type of charge-transfer salt [Cu(Me-tri)2][Ni(dmit)2]2: Interaction between copper(ii) d- and Ni(dmit)2 ?-electrons via�?-conjugated macrocyclic ligandsElectronic supplementary information (ESI) available: crystallographic data in cif format. See http://www.rsc.org/suppdata/cp/b2/b212555b/","Physical Chemistry Chemical Physics","2003","5","11","2469","","10.1039/b212555b","","","0.7107","MoKα","","","0.0613","","","","0.1658","","","","","","1.118","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204894","10.605","0.001","8.003","0.002","23.478","0.002","90","","90","","90","","1992.6","0.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Hg2 O4 S8 -","- C8 H12 Hg2 O4 S8 -","- C32 H48 Hg8 O16 S32 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:33",""
"7204895","26.27","0.02","13.654","0.008","13.863","0.005","90","","96.64","0.04","90","","4939","5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Hg N2 S4 -","- C18 H36 Hg N2 S4 -","- C144 H288 Hg8 N16 S32 -","8","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:34",""
"7204896","6.238","0.001","20.162","0.002","11.281","0.001","90","","104.63","0.01","90","","1372.8","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Hg P S2 -","- C10 H15 Hg P S2 -","- C40 H60 Hg4 P4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:35",""
"7204897","17.308","0.001","7.558","0.003","9.978","0.002","90","","113.24","0.01","90","","1199.4","0.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Hg N2 S4 -","- C6 H12 Hg N2 S4 -","- C24 H48 Hg4 N8 S16 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:35",""
"7204899","9.814","0.003","10.667","0.003","15.655","0.004","90","","104.06","0.02","90","","1589.8","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 S8 Zn2 -","- C20 H40 N4 S8 Zn2 -","- C40 H80 N8 S16 Zn4 -","2","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","208196","2020-10-21","18:00:00",""
"7204900","9.8208","0.0003","10.7609","0.0003","15.9952","0.0004","90","","103.581","0.001","90","","1643.12","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cd N2 S4 -","- C10 H20 Cd N2 S4 -","- C40 H80 Cd4 N8 S16 -","4","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","208197","2020-10-21","18:00:00",""
"7205040","11.741","0.002","12.828","0.003","12.047","0.002","90","","108.46","0.03","90","","1721.1","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and Acridene","1:1 Molecular complex of TNB and Acridene","","- C19 H12 N4 O6 -","- C19 H12 N4 O6 -","- C76 H48 N16 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0949","0.0598","","","0.13","0.1554","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205041","10.962","0.002","13.48","0.003","12.092","0.002","90","","108.89","0.03","90","","1690.6","0.6","120","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and phenonthroline","1:1 Molecular Complex of TNB and 1,10-Phenonthroline","","- C18 H11 N5 O6 -","- C18 H11 N5 O6 -","- C72 H44 N20 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0587","0.049","","","0.1271","0.1408","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205042","7.0781","0.0014","9.7139","0.0019","15.787","0.003","86.83","0.03","88.33","0.03","83.08","0.03","1075.6","0.4","120","2","293","2","","","","","","","","4","P -1","-P 1","2","2:3 Complex of TNB and Phenazene","2:3 Complex of TNB and Phenazene","","- C24 H15 N6 O6 -","- C24 H15 N6 O6 -","- C48 H30 N12 O12 -","2","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0759","0.049","","","0.1251","0.1383","","","","","","0.966","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205043","13.977","0.009","18.93","0.01","10.148","0.008","105.71","0.06","106.23","0.07","82.19","0.05","2476","3","288.2","","288.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 Cr N6 O2 S14 -","- C39 H30 Cl2 Cr N6 O2 S14 -","- C78 H60 Cl4 Cr2 N12 O4 S28 -","2","1","","Sayaduzzaman, Mohammad; Katsuhara, Mao; Nii, Hirofumi; Kawamoto, Tadashi; Mori, Takehiko","Structural and magnetic properties of (C2TEO-TTP)[Cr(isoq)2(NCS)4]�CH2Cl2","CrystEngComm","2003","5","51","300","","10.1039/b307621k","","","0.7107","MoKα","","0.054","0.055","","0.068","","0.068","","","0.931","","","0.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209383","4.601","","7.371","","7.881","","90","","90","","90","","267.276","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Ge","","- Au Eu Ge -","- Au Eu Ge -","- Au4 Eu4 Ge4 -","4","0.5","","Poettgen, R.","Crystal structure, magnetic susceptibility and electrical conductivity of Eu Au Ge: a new ordered version of the Ce Cu2 - type structure","Journal of Materials Chemistry","1995","5","","505","508","10.1039/jm9950500505","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209458","3.8974","","3.8974","","26.64929","","90","","90","","90","","404.795","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(Nd1.5 Ce0.5) (Sr1.5 Nd0.5) Cu2 O6 (B O3)","","- B Ce0.5 Cu2 Nd2 O9 Sr1.5 -","- B Ce0.5 Cu2 Nd2 O9 Sr1.5 -","- B2 Ce Cu4 Nd4 O18 Sr3 -","2","0.0625","","Li, R.-K.","Preparation and structure of Nd2 Sr1.5 Ce0.5 Cu2 O6 B O3: a 1222 phase containing a borate group as a connecting element","Journal of Materials Chemistry","1995","5","","1973","1974","10.1039/jm9950501973","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214210","4.578","0.0002","5.7488","0.0003","2.8054","0.0001","90","","90","","90","","73.833","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214211","4.5809","0.0002","5.7487","0.0004","2.8047","0.0002","90","","90","","90","","73.86","0.008","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214212","4.5825","0.0002","5.7526","0.0003","2.8067","0.0001","90","","90","","90","","73.988","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214213","4.5758","0.0001","5.7517","0.0001","2.8062","0.0001","90","","90","","90","","73.855","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","11","1919","1925","10.1039/jm9950501919","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","303312","2025-11-16","21:07:30",""
"7214214","4.5752","0.0001","5.7506","0.0001","2.8061","0.0001","90","","90","","90","","73.829","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7214215","4.5771","0.0001","5.7561","0.0002","2.8076","0.0001","90","","90","","90","","73.97","0.004","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"7216268","10.484","0.0002","19.531","0.0005","31.33","0.001","90","","93.382","0.0009","90","","6404.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H51.5 Cu N9.5 O12 -","- C47 H29 Cu N5 O3 -","- C188 H116 Cu4 N20 O12 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.1044","0.0703","","","0.1712","0.179","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216269","16.188","0.0004","19.606","0.0005","18.203","0.0005","90","","109.438","0.001","90","","5448","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H46 N8 O10 Zn -","- C65 H46 N8 O10 Zn -","- C260 H184 N32 O40 Zn4 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.0733","0.0471","","","0.1158","0.1307","","","","","","1.006","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216270","14.391","0.003","20.228","0.004","9.782","0.002","90","","91.96","0.03","90","","2845.9","1","293","2","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","4,4-bis(4-hydroxyphenyl)cyclohexanone","4,4-bis(4-hydroxyphenyl)cyclohexanone","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host–guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.0421","0.0373","","","0.076","0.0779","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216271","10.004","0.002","15.783","0.003","20.253","0.004","90","","94.79","0.03","90","","3186.6","1.1","293","2","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host–guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.1081","0.0697","","","0.1138","0.1263","","","","","","1.165","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216272","9.572","0.002","10.424","0.002","10.977","0.002","71.27","0.005","66.062","0.004","63.155","0.004","880.3","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","Rhodium(II) benzoate pyrazine","","","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1047","0.0694","","","0.2009","0.2197","","","","","","1.14","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216273","9.588","0.002","10.322","0.003","10.861","0.003","72.139","0.005","64.783","0.005","62.722","0.005","856","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","rhodium benzoate pyrazine","","","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1149","0.0706","","","0.1725","0.2139","","","","","","1.018","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216274","11.3947","0.0002","15.7982","0.0004","18.4861","0.0005","91.028","0.001","99.107","0.001","93.377","0.002","3278.88","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C156 H174 N6 O6 -","6","3","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.7107","MoKα","","0.157","0.0671","","","0.2034","0.2601","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216275","8.7451","0.0017","11.472","0.002","12.336","0.003","100.72","0.03","96.13","0.03","111.23","0.03","1112.8","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.71073","MoKα","","0.0919","0.0588","","","0.1382","0.159","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216276","19.763","0.009","13.835","0.004","10.175","0.004","90","","90","","90","","2782.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Phenyl imidazolium hydrogen cyclobutane-1,1-dicarboxylate 1","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0773","0.0438","","","0.0963","0.1069","","","","","","0.952","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216277","7.231","0.002","8.296","0.004","9.235","0.004","115.97","0.03","102.84","0.03","91.74","0.03","480.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","imidazolium hydrogen malonate 2","","","- C6 H7 N2 O5.57 -","- C6 H7 N2 O5.57 -","- C12 H14 N4 O11.14 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.1112","0.1053","","","0.2814","0.2902","","","","","","1.073","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216278","9.639","0.002","5.083","0.003","23.066","0.006","90","","106.817","0.019","90","","1081.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / succinic acid (1:1) cocrystal 3","","","- C11 H9.5 N2 O4 -","- C11 H9.5 N2 O4 -","- C44 H38 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0869","0.0499","","","0.1344","0.1454","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216279","10.157","0.004","5.13","0.007","26.067","0.006","90","","90.98","0.04","90","","1358","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / isophthalic acid (1:1) cocrystal 4","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C60 H40 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0929","0.0741","","","0.1925","0.2045","","","","","","1.042","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216280","3.824","0.001","9.108","0.001","22.252","0.002","90","","91.263","0.005","90","","774.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-formylcoumarin","4-formylcoumarin","","- C10 H6 O3 -","- C10 H6 O3 -","- C40 H24 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1192","0.0592","","","0.149","0.1762","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216281","7.098","0.001","8.58","0.001","14.328","0.002","90","","97.913","0.005","90","","864.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Chloro-4-formylcoumarin","6-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0392","0.0281","","","0.0756","0.0808","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216282","7.984","0.002","5.939","0.001","18.452","0.002","90","","101.333","0.005","90","","857.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-Chloro-4-formylcoumarin","7-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1763","0.0582","","","0.1091","0.1393","","","","","","1.004","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216283","8.122","0.001","10.216","0.001","10.709","0.002","90","","92.753","0.005","90","","887.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-bromo-4-formylcoumarin","7-bromo-4-formylcoumarin","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C40 H20 Br4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0698","0.0417","","","0.1035","0.1124","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216284","6.115","0.002","8.082","0.002","16.33","0.005","90","","94.23","0.01","90","","804.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Fluoro-4-formylcoumarin","6-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1088","0.0597","","","0.1563","0.1782","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216285","5.746","0.001","8.552","0.001","9.212","0.002","113.792","0.003","102.163","0.003","93.126","0.003","399.95","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","7-Fluoro-4-formylcoumarin","7-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C20 H10 F2 O6 -","2","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","x-ray","0.71073","MoKα","","0.1256","0.0585","","","0.1391","0.1611","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216286","9.6509","0.0012","16.0236","0.0019","21.118","0.003","110.872","0.002","95.888","0.003","97.949","0.002","2981.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H88.5 N1.5 O6 -","- C69 H88.5 N1.5 O6 -","- C138 H177 N3 O12 -","2","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.2246","0.0614","","","0.1074","0.1658","","","","","","0.835","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216287","13.938","0.0009","16.9178","0.0011","27.9606","0.0018","90","","99.621","0.002","90","","6500.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 N2 O6 -","- C70 H90 N2 O6 -","- C280 H360 N8 O24 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.156","0.0606","","","0.1304","0.1945","","","","","","1.038","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216288","38.419","0.002","21.8067","0.0014","21.1486","0.0013","90","","92.251","0.002","90","","17704.4","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H124 N4 O8 -","- C95.995 H121 N4 O8 -","- C767.96 H968 N32 O64 -","8","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.1669","0.0694","","","0.1635","0.2365","","","","","","1.041","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216289","20.1552","0.0009","22.9575","0.001","19.7543","0.0009","90","","112.455","0.002","90","","8447.5","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H118 N2 O8 -","- C91 H112 N1.5 O8 -","- C364 H448 N6 O32 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.0831","0.0568","","","0.1629","0.1783","","","","","","1.134","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216290","6.3603","0.0001","7.8252","0.0002","23.533","0.0005","90","","90","","90","","1171.25","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","Mo-Kα","","0.055","0.038","","0.064","","0.056","","","1.248","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216291","7.7049","0.0003","6.3055","0.0004","12.133","0.0008","90","","98.964","0.004","90","","582.26","0.06","173","","","","","","","","","","Local laboratory","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","MoKα","","0.0541","0.039","","","0.0816","0.0882","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216292","12.4638","0.0012","11.6208","0.0012","26.636","0.003","90","","90","","90","","3857.9","0.7","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N5 O2 -","- C21 H19 N5 O2 -","- C168 H152 N40 O16 -","8","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.1009","0.0524","","","0.1343","0.1658","","","","","","1.038","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216293","8.7863","0.0006","8.9879","0.0006","12.6434","0.0009","96.415","0.001","90.783","0.001","108.94","0.001","937.16","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C40 H44 N8 O4 -","2","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.0644","0.051","","","0.1485","0.1556","","","","","","1.002","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216294","19.075","0.0018","19.075","0.0018","8.537","0.0008","90","","90","","90","","3106.2","0.5","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H17 N O2.25 -","- C18 H17 N O2.25 -","- C144 H136 N8 O18 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0779","0.0623","","","0.1632","0.1793","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216295","21.3642","0.0006","18.856","0.0009","8.7764","0.0006","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0782","0.0782","","","0.2078","0.2078","","","","","","1.344","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216296","16.758","0.004","11.135","0.003","17.341","0.004","90","","100.395","0.003","90","","3182.7","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N2 O6.5 -","- C14 H14 Cu N2 O6.5 -","- C112 H112 Cu8 N16 O52 -","8","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0842","0.0641","","","0.1501","0.1562","","","","","","1.223","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216297","7.942","0.003","9.106","0.003","10.593","0.003","109.296","0.004","99.716","0.004","101.034","0.004","687.1","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O4 Zn -","- C14 H14 N2 O4 Zn -","- C28 H28 N4 O8 Zn2 -","2","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0733","0.0582","","","0.1338","0.1402","","","","","","0.977","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216298","10.329","0.002","29.76","0.006","14.688","0.003","90","","108.28","0.03","90","","4287.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H48 N11 O16 Ru2 Sm -","- C27 H16 N11 O16 Ru2 Sm -","- C108 H64 N44 O64 Ru8 Sm4 -","4","1","","Miller, Thomas A.; Jeffery, John C.; Ward, Michael D.","The crystal structure of [Sm(H2O)5][Ru2(bpy)2(CN)7]�11H2O, a novel mixed d?f coordination polymer","CrystEngComm","2003","5","88","495","","10.1039/b313122j","","","0.71073","MoKα","","0.0692","0.0596","","","0.1432","0.15","","","","","","1.141","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216299","11.011","0.003","13.105","0.003","6.789","0.001","90","","103.57","0.04","90","","952.3","0.4","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Fluorene-tetracianoquinodimethane complex","","","- C25 H14 N4 -","- C25 H16 N4 -","- C50 H32 N8 -","2","0.25","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.0645","0.0582","","","0.1668","0.1726","","","","","","1.009","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216300","7.416","0.009","8.074","0.009","8.118","0.009","106.13","0.02","93.94","0.02","91.53","0.02","465.3","0.9","293","","293","","","","","","","","","3","P -1","-P 1","2","Fluorene-tetracyanobenzene complex","","","- C23 H12 N4 -","- C23 H10 N4 -","- C23 H10 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71073","MoKα","","0.186","0.1381","","","0.35","0.3893","","","","","","1.025","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216301","7.183","0.004","7.3","0.004","8.194","0.005","95.24","0.01","94.27","0.01","114.63","0.01","385.9","0.4","293","","293","2","","","","","","","","3","P -1","-P 1","2","Fluorene-Tetracyanoethilene complex","","","- C19 H10 N4 -","- C19 H8 N4 -","- C19 H8 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.1857","0.1203","","","0.2895","0.3342","","","","","","1.084","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216302","13.683","0.004","13.897","0.004","14.413","0.005","64.7","0.03","82.12","0.02","67.52","0.03","2288.4","1.5","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H30.5 Br8 F1.5 N4 -","- C49.5 H30.5 Br8 F1.5 N4 -","- C99 H61 Br16 F3 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Analysis of pi?halogen dimer interactions present in a family of staircase inclusion compounds","CrystEngComm","2003","5","75","422","","10.1039/b312062g","","","0.71073","MoKα","","","0.055","","","","0.06","","","","","","1.64","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216303","11.474","0.0011","11.5821","0.0014","10.965","0.0014","90","","106.67","0.018","90","","1395.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl Cu N2 O4 -","- C28 H24 Cl2 Cu2 N4 O8 -","- C56 H48 Cl4 Cu4 N8 O16 -","2","0.25","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0617","0.0467","","","0.1147","0.1221","","","","","","0.99","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216304","6.9874","0.001","11.7096","0.0019","11.8247","0.0017","112.339","0.017","96.728","0.017","102.93","0.018","850","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","1","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0525","0.0328","","","0.08","0.0879","","","","","","0.785","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216305","6.9688","0.0011","10.6469","0.0014","8.8115","0.0014","90","","109.047","0.018","90","","617.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0589","0.0371","","","0.0926","0.0983","","","","","","0.884","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216306","12.893","0.005","11.621","0.004","19.044","0.007","90","","90","","90","","2853.4","1.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B Cu F4 N2 S2 -","- C8 H14 B Cu F4 N2 S2 -","- C64 H112 B8 Cu8 F32 N16 S16 -","8","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.04","0.029","","","0.0941","0.1057","","","","","","0.815","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216307","6.671","0.002","16.939","0.008","12.941","0.004","90","","93.88","0.03","90","","1459","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H28 B2 Cu2 F8 N4 S4 -","- C16 H28 B2 Cu2 F8 N4 S4 -","- C32 H56 B4 Cu4 F16 N8 S8 -","2","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.7107","MoKα","","0.0451","0.0395","","","0.1021","0.1057","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216308","6.6496","0.0008","14.856","0.0017","17.325","0.002","90","","90","","90","","1711.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B Cu F4 N S4 -","- C10 H19 B Cu F4 N S4 -","- C40 H76 B4 Cu4 F16 N4 S16 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0493","0.0394","","","0.1091","0.1161","","","","","","0.848","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216309","12.1164","0.0017","16.379","0.002","19.486","0.003","90","","90","","90","","3867.1","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C76 H140 B12 Cl8 Cu12 F48 N12 S24 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0974","0.0572","","","0.142","0.1621","","","","","","1.028","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7216310","12.068","0.0002","15.433","0.0004","12.198","0.0003","90","","116.816","0.001","90","","2027.51","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Br N6 Ni O4 S2 -","- C14 H21 Br N6 Ni O4 S2 -","- C56 H84 Br4 N24 Ni4 O16 S8 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.0815","0.0527","","","0.1356","0.149","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216311","22.503","0.0013","9.465","0.0008","15.654","0.0012","90","","129.956","0.003","90","","2555.8","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 Br N6 O5 S2 Zn -","- C18 H31 Br N6 O5 S2 Zn -","- C72 H124 Br4 N24 O20 S8 Zn4 -","4","0.5","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.1284","0.0934","","","0.2183","0.2359","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216312","10.726","0.002","9.0275","0.0013","18.333","0.007","90","","97.24","0.02","90","","1761","0.8","293","2","293","2","","","","","","","From LKF","6","P 1 21/a 1","-P 2yab","14","benzthiazide-anhydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide","","- C15 H14 Cl N3 O4 S3 -","- C15 H14 Cl N3 O4 S3 -","- C60 H56 Cl4 N12 O16 S12 -","4","1","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","0.71069","MoKα","","0.064","0.0589","","0.1701","0.1642","","","","1.077","1.113","1.113","","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216313","12.243","0.002","4.905","0.002","31.957","0.003","90","","96.34","0.03","90","","1907.3","0.9","293","2","293","2","","","","","","","From LKF","6","P 1 21 1","P 2yb","4","benzthiazide-monohydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide monohydrate","","- C15 H16 Cl N3 O5 S3 -","- C15 H16 Cl N3 O5 S3 -","- C60 H64 Cl4 N12 O20 S12 -","4","2","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","1.54178","CuKα","","0.1084","0.055","","","0.1239","0.1443","","","","","","0.883","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216314","13.1148","0.0008","4.6992","0.0002","12.8071","0.0005","90","","107.9","0.001","90","","751.08","0.06","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Li O4 -","- C7 H7 Li O4 -","- C28 H28 Li4 O16 -","4","1","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium salicylate monohydrate: A layer structure with carboxylate-bridged ?- and ?-[(H2O)Li+]? helices","CrystEngComm","2003","5","90","503","","10.1039/b312892j","","","0.71073","MoKα","","0.0481","0.0438","","","0.1145","0.1185","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216315","3.8233","0.0007","8.6525","0.0015","17.748","0.003","90","","91.562","0.004","90","","586.91","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","catena-(bis(mu-chloro)-bis(pyridine)-cadmium(ii)) (Compound 1)","catena-[bis(μ-chloro)-bis(pyridine)-cadmium(ii)] (Compound 1)","","- C10 H10 Cd Cl2 N2 -","- C10 H10 Cd Cl2 N2 -","- C20 H20 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0274","0.0219","","","0.0483","0.0496","","","","","","1.04","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216316","8.649","0.003","18.159","0.007","3.9182","0.0014","90","","90","","90","","615.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","catena-(bis(mu-bromo)-bis(pyridine)-cadmium(ii)) (Compound 2)","catena-[bis(μ-bromo)-bis(pyridine)-cadmium(ii)] (Compound 2)","","- C10 H10 Br2 Cd N2 -","- C10 H10 Br2 Cd N2 -","- C20 H20 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0461","0.0357","","","0.0816","0.0853","","","","","","1.111","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216317","8.848","0.004","17.79","0.007","18.666","0.008","90","","90","","90","","2938","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, RT dataset, 3a)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, RT dataset, 3a)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0851","0.0401","","","0.0755","0.0886","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216318","8.7603","0.0019","17.436","0.004","18.581","0.004","90","","90","","90","","2838.1","1.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, 120K dataset, 3b)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, 120K dataset, 3b)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0395","0.0317","","","0.0788","0.082","","","","","","1.138","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216319","3.8116","0.0005","14.2606","0.0019","11.989","0.0016","90","","91.767","0.004","90","","651.36","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-chloropyridine)-cadmium(ii)) (Compound 4)","catena-[bis(μ-chloro)-bis(3-chloropyridine)-cadmium(ii)] (Compound 4)","","- C10 H8 Cd Cl4 N2 -","- C10 H8 Cd Cl4 N2 -","- C20 H16 Cd2 Cl8 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0557","0.0463","","","0.1006","0.1044","","","","","","1.188","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216320","3.9079","0.001","14.392","0.004","12.238","0.003","90","","90.895","0.007","90","","688.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 5)","catena-[bis(μ-bromo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 5)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0725","0.0509","","","0.0817","0.0877","","","","","","1.085","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216321","4.1332","0.0018","14.45","0.006","12.977","0.006","90","","89.63","0.01","90","","775","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 6)","catena-[bis(μ-iodo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 6)","","- C10 H8 Cd Cl2 I2 N2 -","- C10 H8 Cd Cl2 I2 N2 -","- C20 H16 Cd2 Cl4 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0303","0.0266","","","0.0587","0.0603","","","","","","1.097","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216322","3.8538","0.0008","14.404","0.003","12.082","0.002","90","","91.377","0.005","90","","670.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-bromopyridine)-cadmium(ii)) (Compound 7)","catena-[bis(μ-chloro)-bis(3-bromopyridine)-cadmium(ii)] (Compound 7)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.041","0.0294","","","0.0621","0.0658","","","","","","0.987","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216323","3.9452","0.0014","14.578","0.005","12.286","0.004","90","","91.029","0.008","90","","706.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 8)","catena-[bis(μ-bromo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 8)","","- C10 H8 Br4 Cd N2 -","- C10 H8 Br4 Cd N2 -","- C20 H16 Br8 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.027","0.0232","","","0.0539","0.0554","","","","","","1.132","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216324","4.1429","0.0007","14.657","0.003","12.946","0.002","90","","90.162","0.004","90","","786.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 9)","catena-[bis(μ-iodo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 9)","","- C10 H8 Br2 Cd I2 N2 -","- C10 H8 Br2 Cd I2 N2 -","- C20 H16 Br4 Cd2 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0302","0.0274","","","0.0629","0.0637","","","","","","1.103","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216325","3.8726","0.0005","14.613","0.002","11.8992","0.0017","90","","92.449","0.003","90","","672.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-methylpyridine)-cadmium(ii)) (Compound 10)","catena-[bis(μ-chloro)-bis(3-methylpyridine)-cadmium(ii)] (Compound 10)","","- C12 H14 Cd Cl2 N2 -","- C12 H14 Cd Cl2 N2 -","- C24 H28 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0443","0.0301","","","0.0638","0.0678","","","","","","1.012","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216326","3.98","0.0006","14.738","0.002","12.1051","0.0017","90","","91.971","0.003","90","","709.63","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 11)","catena-[bis(μ-bromo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 11)","","- C12 H14 Br2 Cd N2 -","- C12 H14 Br2 Cd N2 -","- C24 H28 Br4 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0385","0.0284","","","0.064","0.0672","","","","","","1.001","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216327","9.6737","0.0015","15.49","0.002","11.392","0.0019","90","","100.329","0.003","90","","1679.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, RT dataset, 12a)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, RT dataset, 12a)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.049","0.0369","","","0.092","0.0978","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216328","9.5708","0.0015","15.222","0.002","11.348","0.0018","90","","100.122","0.003","90","","1627.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, 120K dataset, 12b)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, 120K dataset, 12b)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0261","0.0222","","","0.0506","0.0521","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216329","11.796","0.003","12.084","0.003","3.7716","0.0009","90","","90","","90","","537.6","0.2","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-chloro)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 13, 120K data)","net-[bis(μ-chloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 120K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0424","0.026","","","0.0586","0.0643","","","","","","1.116","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216330","11.749","0.005","12.067","0.005","3.7748","0.0014","90","","90","","90","","535.2","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, RT data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.043","0.0254","","","0.059","0.0665","","","","","","1.079","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216331","11.753","0.002","12.107","0.003","3.7959","0.0008","90","","90","","90","","540.1","0.2","450","2","450","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 450K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0507","0.0263","","","0.0563","0.0635","","","","","","1.077","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216332","11.7966","0.0014","12.5019","0.0015","3.8851","0.0005","90","","90","","90","","572.97","0.12","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-bromo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 14, 120K data)","net-[bis(μ-bromo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 120K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0714","0.0347","","","0.0772","0.0922","","","","","","1.047","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216333","11.7857","0.001","12.5282","0.001","3.9105","0.0003","90","","90","","90","","577.4","0.08","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-beomo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 293K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0625","0.0287","","","0.0597","0.0702","","","","","","1.015","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216334","11.8081","0.0012","13.0971","0.0013","4.1423","0.0004","90","","90","","90","","640.61","0.11","120","2","120","2","","","","","","","","5","C m m m","-C 2 2","65","net-(bis(mu-iodo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 15, 120K data)","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 120K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0246","0.0201","","","0.0445","0.0462","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216335","11.837","0.002","13.138","0.003","4.155","0.0008","90","","90","","90","","646.2","0.2","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 150K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0309","0.0246","","","0.0565","0.0582","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216336","11.83","0.002","13.138","0.002","4.1569","0.0008","90","","90","","90","","646.08","0.19","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 180K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0328","0.0268","","","0.063","0.065","","","","","","1.052","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216337","11.822","0.002","13.135","0.002","4.1591","0.0008","90","","90","","90","","645.83","0.19","210","2","210","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 210K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0331","0.0254","","","0.0581","0.0609","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216338","11.83","0.002","13.15","0.002","4.1667","0.0008","90","","90","","90","","648.19","0.19","240","2","240","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 240K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0374","0.029","","","0.0643","0.0687","","","","","","1.059","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216339","11.792","0.002","13.118","0.003","4.1585","0.0009","90","","90","","90","","643.3","0.2","270","2","270","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 270K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0362","0.0281","","","0.0625","0.0658","","","","","","1.101","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216340","11.828","0.0011","13.1531","0.0011","4.1751","0.0004","90","","90","","90","","649.54","0.1","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 293K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0418","0.0287","","","0.0538","0.0559","","","","","","1.217","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7218992","12.919","0.004","9.577","0.003","17.878","0.006","90","","93.149","0.005","90","","2208.6","1.2","100","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7-hexyl-7-monoaza[6]helicene","","","- C29 H26 N -","- C30 H26 N -","- C120 H104 N4 -","4","1","","Hua, Wanming; Liu, Zhi; Duan, Lian; Dong, Guifang; Qiu, Yong; Zhang, Baojie; Cui, Deliang; Tao, Xutang; Cheng, Na; Liu, Yongjun","Deep-blue electroluminescence from nondoped and doped organic light-emitting diodes (OLEDs) based on a new monoaza[6]helicene","RSC Adv.","2014","5","1","75","","10.1039/C4RA13486A","","","0.71073","MoKα","","0.1457","0.0834","","","0.2129","0.2466","","","","","","1.233","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219012","8.3415","0.0003","9.3745","0.0004","13.544","0.0005","90","","90","","90","","1059.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 Co N Na O6 -","- C7 H11 Co N Na O6 -","- C28 H44 Co4 N4 Na4 O24 -","4","1","","Li, Qipeng; Jiang, Xiang; Du, Shaowu","Solvent-dependent assemblies, structure diversities and magnetic properties of two homochiral Co(ii)/Na(i) coordination polymers","RSC Adv.","2014","5","3","1785","","10.1039/C4RA09263E","","","0.71073","MoKα","","0.0289","0.028","","","0.0837","0.0844","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219013","7.0082","0.0005","12.1505","0.0007","13.9281","0.0011","90","","90","","90","","1186.02","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Co N Na O7 -","- C7 H14 Co N Na O7 -","- C28 H56 Co4 N4 Na4 O28 -","4","1","","Li, Qipeng; Jiang, Xiang; Du, Shaowu","Solvent-dependent assemblies, structure diversities and magnetic properties of two homochiral Co(ii)/Na(i) coordination polymers","RSC Adv.","2014","5","3","1785","","10.1039/C4RA09263E","","","0.71073","MoKα","","0.0315","0.031","","","0.0849","0.0853","","","","","","1.097","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219057","9.8954","0.0005","13.9545","0.0006","17.7018","0.0008","90","","96.711","0.001","90","","2427.61","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Cl2 N5 Pd -","- C23 H35 Cl2 N5 Pd -","- C92 H140 Cl8 N20 Pd4 -","4","1","","Qi, Miao; Tan, Pei Zi; Xue, Fei; Malhi, Haripal Singh; Zhang, Zhong-Xing; Young, David J.; Hor, T. S. Andy","A supramolecular recyclable catalyst for aqueous Suzuki‒Miyaura coupling","RSC Adv.","2014","5","5","3590","","10.1039/C4RA13953D","","","0.71073","MoKα","","0.0369","0.0331","","","0.0773","0.0791","","","","","","1.084","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219161","7.615","0.006","9.543","0.007","10.259","0.008","83.045","0.012","77.14","0.011","81.412","0.012","715.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 S2 -","- C34 H32 N2 S2 -","- C34 H32 N2 S2 -","1","0.5","","Wen, Shuguang; Liu, Jie; Qiu, Meng; Li, Yonghai; Zhu, Dangqiang; Gu, Chuantao; Han, Liangliang; Yang, Renqiang","Synthesis and photophysical properties of amino-substituted benzodithiophene-based fluorophores","RSC Adv.","2014","5","8","5875","","10.1039/C4RA14186E","","","0.71073","MoKα","","0.0606","0.0445","","","0.1192","0.1279","","","","","","1.084","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219245","18.815","0.014","15.629","0.011","8.851","0.006","90","","103.255","0.009","90","","2533","3","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71075","MoKα","","","0.1034","","","","0.3036","","","","","","1.186","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219246","12.642","0.002","12.96","0.002","13.854","0.002","86.048","0.002","67.354","0.002","60.942","0.002","1811.4","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C96 H84 O8 -","2","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71073","MoKα","","0.0695","0.0475","","","0.1277","0.1413","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7219247","34.643","0.004","11.0927","0.0016","10.1811","0.0013","90","","90","","90","","3912.4","0.9","113","","113","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H24 O -","- C27 H24 O -","- C216 H192 O8 -","8","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","1.54187","CuKα","","","0.036","","","","0.1041","","","","","","1.123","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219248","9.136","0.002","17.638","0.004","19.524","0.004","90","","98.252","0.004","90","","3113.5","1.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 O3 -","- C41 H36 O3 -","- C164 H144 O12 -","4","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71073","MoKα","","0.0773","0.0483","","","0.1285","0.146","","","","","","1.062","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219249","10.299","0.006","12.845","0.007","13.482","0.012","111.174","0.009","103.142","0.01","102.291","0.007","1531.7","1.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H36 N0 O3 -","- C41 H36 O3 -","- C82 H72 O6 -","2","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71073","MoKα","","0.1347","0.0911","","","0.2372","0.2649","","","","","","0.988","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219250","17.5703","0.0006","8.8286","0.0003","24.0368","0.0009","90","","101.19","0.002","90","","3657.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C192 H168 O16 -","4","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.7749","synchrotron","","0.0619","0.0441","","","0.1206","0.1317","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219304","25.875","0.004","25.875","0.004","25.597","0.004","90","","90","","120","","14842","4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C29 H29 Cl2 N3 O Ru S -","- C29 H29 Cl2 N3 O Ru S -","- C522 H522 Cl36 N54 O18 Ru18 S18 -","18","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","","0.0767","0.045","","","0.0905","0.0987","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219305","8.2692","0.0003","11.1553","0.0004","14.9524","0.0006","72.155","0.001","81.81","0.001","83.298","0.001","1295.63","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 Cl F6 N3 P Pt -","- C27 H23 Cl F6 N3 P Pt -","- C54 H46 Cl2 F12 N6 P2 Pt2 -","2","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","","0.0292","0.0257","","","0.0656","0.0676","","","","","","1.033","","","","has coordinates","180524","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",""
"7219320","11.158","0.003","12.352","0.003","12.264","0.002","90","","120.845","0.017","90","","1451.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 O2 -","- C16 H11 Cl2 O2 -","- C64 H44 Cl8 O8 -","4","1","","Han, Xin; Wu, Haoming; Dong, Chune; Tien, Po; Xie, Wei; Wu, Shuwen; Zhou, Hai-Bing","Halolactones are potent HIV-1 non-nucleoside reverse transcriptase inhibitors","RSC Adv.","2014","5","13","10005","","10.1039/C4RA11087K","","","0.71073","MoKα","","0.258","0.1895","","","0.4577","0.5113","","","","","","1.744","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219362","8.0072","0.0003","10.1043","0.0004","13.211","0.0005","100.264","0.002","90.006","0.002","93.327","0.003","1049.93","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(2-(4-fluorobenzyl)-6-p-tolylpyrimidin-4-yl)-2H-chromen-2-one","","- C27 H19 F N2 O2 -","- C27 H19 F N2 O2 -","- C54 H38 F2 N4 O4 -","2","1","","Hosamani, Kallappa. M.; Reddy, Dinesh S.; Devarajegowda, Hirihalli. C.","Microwave-assisted synthesis of new fluorinated coumarin–pyrimidine hybrids as potent anticancer agents, their DNA cleavage and X-ray crystal studies","RSC Adv.","2015","5","15","11261","","10.1039/C4RA12222D","","","0.71073","MoKα","","0.0593","0.047","","","0.1375","0.1472","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219363","8.133","0.0002","10.2945","0.0002","12.7544","0.0003","101.192","0.001","90.344","0.001","95.499","0.001","1042.4","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(2-(4-fluorobenzyl)-6-(4-methoxyphenyl)pyrimidin-4-yl)-2H-chromen-2-one","","- C27 H19 F N2 O3 -","- C27 H19 F N2 O3 -","- C54 H38 F2 N4 O6 -","2","1","","Hosamani, Kallappa. M.; Reddy, Dinesh S.; Devarajegowda, Hirihalli. C.","Microwave-assisted synthesis of new fluorinated coumarin–pyrimidine hybrids as potent anticancer agents, their DNA cleavage and X-ray crystal studies","RSC Adv.","2015","5","15","11261","","10.1039/C4RA12222D","","","0.71073","MoKα","","0.0469","0.0382","","","0.1056","0.1119","","","","","","1.078","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219435","7.2652","0.0006","8.0985","0.0007","35.69","0.003","90","","90","","90","","2099.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O S2 -","- C25 H22 N2 O S2 -","- C100 H88 N8 O4 S8 -","4","1","","Wei, Ruo-Hong; Chen, Jun-Feng; Feng, Jia-Qi; Hu, Jiong-Sheng; Cao, Deng-Ke","Two heteroleptic Ir(iii)–bisthienylethene compounds: syntheses, structures and aggregation-induced luminescence","RSC Adv.","2015","5","19","14359","","10.1039/C4RA15977B","","","0.71073","MoKα","","0.0427","0.0393","","","0.1115","0.1139","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219436","10.8322","0.0015","11.8007","0.0016","18.99","0.003","75.86","0.002","73.658","0.002","83.633","0.002","2256.5","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H41 F4 Ir N4 O3 S2 -","- C49 H41 F4 Ir N4 O3 S2 -","- C98 H82 F8 Ir2 N8 O6 S4 -","2","1","","Wei, Ruo-Hong; Chen, Jun-Feng; Feng, Jia-Qi; Hu, Jiong-Sheng; Cao, Deng-Ke","Two heteroleptic Ir(iii)‒bisthienylethene compounds: syntheses, structures and aggregation-induced luminescence","RSC Adv.","2015","5","19","14359","","10.1039/C4RA15977B","","","0.71073","MoKα","","0.048","0.0391","","","0.1054","0.1151","","","","","","1.084","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219437","11.8712","0.0006","12.7429","0.0006","15.5387","0.0008","98.555","0.001","102.678","0.001","111.645","0.001","2062.05","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H41 Ir N4 O2 S2 -","- C48 H41 Ir N4 O2 S2 -","- C96 H82 Ir2 N8 O4 S4 -","2","1","","Wei, Ruo-Hong; Chen, Jun-Feng; Feng, Jia-Qi; Hu, Jiong-Sheng; Cao, Deng-Ke","Two heteroleptic Ir(iii)‒bisthienylethene compounds: syntheses, structures and aggregation-induced luminescence","RSC Adv.","2015","5","19","14359","","10.1039/C4RA15977B","","","0.71073","MoKα","","0.0738","0.0477","","","0.0741","0.0813","","","","","","1.008","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219485","13.9718","0.0003","9.84","0.0002","11.9523","0.0003","90","","90","","90","","1643.23","0.06","150","2","150","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C8 H17 Cl4 N3 O4 Sn -","- C8 H17 Cl4 N3 O4 Sn -","- C32 H68 Cl16 N12 O16 Sn4 -","4","0.5","","Arjmand, Farukh; Yousuf, Imtiyaz; Zaidi, Yusra; Toupet, Loic","Crystal structure determination, spectroscopic characterization and biological profile of a tailored ionic molecular entity, Sn(iv) iminodiacetic acid‒piperazinediium conjugate: in vitro DNA/RNA binding studies, Topo I inhibition activity, cytotoxic and systemic toxicity studies","RSC Adv.","2015","5","21","16250","","10.1039/C4RA13718C","","","0.71073","MoKα","","0.0202","0.0188","","","0.0386","0.0388","","","","","","1","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219490","10.0614","0.0005","10.2208","0.0005","15.2649","0.0007","104.231","0.004","95.071","0.004","109.24","0.004","1411.79","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","(3aS*,5S*,10bS*)-5-(hydroxy(o-tolyl)amino)-10-tosyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","- C29 H26 Cl3 N3 O5 S -","- C29 H26 Cl3 N3 O5 S -","- C58 H52 Cl6 N6 O10 S2 -","2","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54178","CuKα","","0.0537","0.049","","","0.1265","0.1296","","","","","","1.05","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219491","10.5141","0.0008","17.9454","0.0011","11.0976","0.0008","90","","113.865","0.009","90","","1914.9","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aS*,10aS*,10bS*)-2-methyl-10-tosyl-4,10,10a,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C88 H80 N8 O16 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels–Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","0.71073","MoKα","","0.0525","0.0409","","","0.0943","0.1019","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219492","7.907","0.0004","14.2862","0.0007","20.6839","0.001","90","","101.016","0.005","90","","2293.4","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3aS*,5S*,10bS*)-5-((S*)-hydroxy(perfluorophenyl)methyl)-N,N-dimethyl-1,3-dioxo-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-a]carbazole-10(2H)-sulfonamide","","- C24 H20 F5 N3 O5 S -","- C24 H20 F5 N3 O5 S -","- C96 H80 F20 N12 O20 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels–Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","0.71073","MoKα","","0.0864","0.0492","","","0.0954","0.1108","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219493","6.2586","0.0002","43.8481","0.0009","17.0987","0.0003","90","","93.143","0.002","90","","4685.3","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-phenyl-11-tosyl-11,11a-dihydro-1H,5H-[1,2,4]triazolo[1',2':1,2]pyridazino[3,4-b]indole-1,3(2H)-dione","","- C25.5 H21 Cl N4 O4 S -","- C25.5 H21 Cl N4 O4 S -","- C204 H168 Cl8 N32 O32 S8 -","8","2","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels–Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54178","CuKα","","0.0702","0.056","","","0.144","0.1527","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219494","16.084","0.0002","8.84163","0.0001","18.0999","0.0002","90","","106.205","0.0014","90","","2471.69","0.05","150","","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 3-((3aS*,4R*,10aS*,10bS*)-1,3-dioxo-10-tosyl-1,2,3,3a,4,10,10a,10b-octahydropyrrolo[3,4-a]carbazol-4-yl)propanoate","","- C26 H26 N2 O6 S -","- C26 H26 N2 O6 S -","- C104 H104 N8 O24 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels–Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54184","CuKα","","0.0392","0.0351","","","0.0896","0.0929","","","","","","1.031","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219495","13.1236","0.0003","20.8432","0.0005","12.0391","0.0002","90","","100.991","0.002","90","","3232.74","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-phenyl-11-tosyl-5,6-dihydro-[1,2,4]triazolo[1',2':1,2]pyridazino[3,4-b]indole-1,3(2H,11H)-dione","","- C33 H25 N7 O6 S -","- C33 H25 N7 O6 S -","- C132 H100 N28 O24 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels–Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54184","CuKα","","0.0464","0.0357","","","0.0863","0.0927","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219496","10.0627","0.0011","12.5064","0.0017","13.7858","0.0016","87.321","0.01","78.605","0.01","70.03","0.011","1598.1","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","(3aS*,5S*,10bS*)-5-((2,6-dibromophenyl)(hydroxy)amino)-N,N-dimethyl-1,3-dioxo-2-phenyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-a]carbazole-10(2H)-sulfonamide","","- C32 H34 Br2 N4 O6 S -","- C32 H34 Br2 N4 O6 S -","- C64 H68 Br4 N8 O12 S2 -","2","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels–Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","x-ray","0.71073","MoKα","","0.0755","0.0604","","","0.1457","0.1595","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219520","6.6702","0.0013","8.7729","0.0018","9.1647","0.0018","78.49","0.03","72.67","0.03","68.92","0.03","475.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H6 Ag N O4 -","- C11 H6 Ag N O4 -","- C22 H12 Ag2 N2 O8 -","2","1","","Song, Yang; Fan, Rui-Qing; Zhang, Hui-Jie; Liu, Zhi-Wei; Wang, Xue-Tao; Tan, Cai-Tu; Yang, Yu-Lin; Wang, Yu-Lei","Luminescent properties of Ag(i)/Cu(i) coordination polymers: crystal structures and high intensity luminescence of a PMMA-doped hybrid material based on a quinoline-2,3-dicarboxylic acid ligand","RSC Adv.","2015","5","22","17343","","10.1039/C4RA16863A","","","0.71073","MoKα","","0.0404","0.0324","","","0.0937","0.0995","","","","","","0.983","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219521","4.249","0.0008","15.962","0.003","15.297","0.003","90","","90.03","0.03","90","","1037.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Cu I N O2 -","- C10 H7 Cu I N O2 -","- C40 H28 Cu4 I4 N4 O8 -","4","1","","Song, Yang; Fan, Rui-Qing; Zhang, Hui-Jie; Liu, Zhi-Wei; Wang, Xue-Tao; Tan, Cai-Tu; Yang, Yu-Lin; Wang, Yu-Lei","Luminescent properties of Ag(i)/Cu(i) coordination polymers: crystal structures and high intensity luminescence of a PMMA-doped hybrid material based on a quinoline-2,3-dicarboxylic acid ligand","RSC Adv.","2015","5","22","17343","","10.1039/C4RA16863A","","","0.71073","MoKα","","0.0842","0.0814","","","0.2183","0.2192","","","","","","1.267","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219527","9.6969","0.0006","12.8371","0.0007","10.8482","0.0006","90","","111.738","0.001","90","","1254.36","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O3 P2 -","- C28 H30 N2 O3 P2 -","- C56 H60 N4 O6 P4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0725","0.0687","","","0.1497","0.1514","","","","","","1.36","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219528","16.9373","0.0007","9.79356","0.00024","18.195","0.0007","90","","105.673","0.003","90","","2905.91","0.18","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Mu-(1,4-phenylene tetraphenyl diphosphate) Bis(chlorotriphenyl tin(IV))","","- C66 H54 Cl2 O8 P2 Sn2 -","- C66 H54 Cl2 O8 P2 Sn2 -","- C132 H108 Cl4 O16 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0248","0.0199","","","0.0482","0.0533","","","","","","1.083","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219529","18.1178","0.0008","9.15","0.0004","18.8435","0.0008","90","","114.138","0.001","90","","2850.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H55 Cl2 N O3 P2 Sn2 -","- C66 H55 Cl2 N O3 P2 Sn2 -","- C132 H110 Cl4 N2 O6 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0321","0.0247","","","0.0571","0.0608","","","","","","1.007","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219530","20.193","0.003","9.5523","0.0016","16.433","0.003","90","","104.235","0.003","90","","3072.4","0.9","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C68 H62 Cl2 N4 O4 P2 Sn2 -","- C68 H62 Cl2 N4 O4 P2 Sn2 -","- C136 H124 Cl4 N8 O8 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0876","0.0545","","","0.1141","0.1259","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219531","19.1057","0.0008","10.0612","0.0004","16.6443","0.0006","90","","99.54","0.003","90","","3155.2","0.2","292","2","292","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","Mu-(1,3-phenylenebis(methylene) tetraphenyl diphosphoramidate) Bis(chlorotriphenyltin(IV))","","- C68 H60 Cl2 N2 O6 P2 Sn2 -","- C68 H60 Cl2 N2 O6 P2 Sn2 -","- C136 H120 Cl4 N4 O12 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0436","0.0262","","","0.056","0.0618","","","","","","1","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219532","10.5009","0.0004","11.9976","0.0005","12.6149","0.0005","65.763","0.001","83.328","0.001","74.313","0.001","1395.2","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H58 Cl2 N2 O2 P2 Sn2 -","- C64 H58 Cl2 N2 O2 P2 Sn2 -","- C64 H58 Cl2 N2 O2 P2 Sn2 -","1","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0191","0.0171","","","0.0432","0.0445","","","","","","1.038","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219534","14.191","0.002","4.4973","0.0007","25.988","0.004","90","","95.57","0.002","90","","1650.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2q","ethyl 2-((4-chloro-2-((4-fluorophenyl)ethynyl)phenyl)amino)-2-oxoacetate","","- C18 H13 Cl F N O3 -","- C18 H13 Cl F N O3 -","- C72 H52 Cl4 F4 N4 O12 -","4","1","","Liu, Wei; Liu, Sheng; Xie, Hongqi; Qing, Zhixing; Zeng, Jianguo; Cheng, Pi","TBHP mediated oxidation of N-2-alkynylphenyl α-amino carbonyl compounds to oxalic amides using visible light photoredox catalysis and their application in the synthesis of 2-aryl indoles","RSC Adv.","2015","5","23","17383","","10.1039/C4RA17232A","","","0.71073","MoKα","","0.0986","0.0596","","","0.1059","0.1197","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219584","6.392","0.0004","8.4041","0.0005","20.1646","0.0012","90","","90","","90","","1083.22","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Liu, Defu; Mao, Jincheng; Rong, Guangwei; Yan, Hong; Zheng, Yang; Chen, Jie","Concise synthesis of semicarbazides and formylhydrazines via direct addition reaction between aromatic azoarenes and N-substituted formamides","RSC Adv.","2015","5","25","19301","","10.1039/C4RA17015F","","","0.71073","MoKα","","0.1075","0.0887","","","0.2151","0.2427","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219665","8.194","0.002","11.411","0.003","12.541","0.003","90","","99.915","0.003","90","","1155.1","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H24 Ca2 Cl2 N14 O12 -","- C4 H24 Ca2 Cl2 N14 O12 -","- C8 H48 Ca4 Cl4 N28 O24 -","2","0.5","","Tong, Wenchao; Zhang, Rui; Zhang, Tonglai; Yang, Li","Seven rings, eight-coordinated binuclear chelate: [Ca2(SCZ)4(NO3)2(H2O)2]Cl2(SCZ = semicarbazide)","RSC Adv.","2015","5","28","22031","","10.1039/C5RA00719D","","","0.71073","MoKα","","0.0486","0.0377","","","0.0838","0.0903","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219909","9.346","0.0005","15.946","0.0006","13.3571","0.0007","90","","125.627","0.004","90","","1618.03","0.16","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl Mo N2 O2 -","- C17 H15 Cl Mo N2 O2 -","- C68 H60 Cl4 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0275","0.0216","","","0.0501","0.0551","","","","","","1.143","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219910","7.8081","0.0007","10.0351","0.0007","11.388","0.0003","85.912","0.004","82.923","0.003","72.94","0.006","845.96","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl Mo N2 O2 -","- C19 H17 Cl Mo N2 O2 -","- C38 H34 Cl2 Mo2 N4 O4 -","2","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0227","0.0195","","","0.0481","0.0501","","","","","","1.119","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219911","13.24","0.0007","19.2431","0.0011","15.16","0.0012","90","","92.773","0.006","90","","3857.9","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl4 Mo2 N2 O4 -","- C39 H32 Cl4 Mo2 N2 O4 -","- C156 H128 Cl16 Mo8 N8 O16 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.1545","0.0876","","","0.1706","0.1969","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219912","11.1001","0.0006","13.401","0.0007","21.538","0.0006","90","","120.819","0.003","90","","2751.4","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl4 Mo N2 O2 -","- C28 H24 Cl4 Mo N2 O2 -","- C112 H96 Cl16 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0494","0.032","","","0.0641","0.0725","","","","","","1.084","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219913","7.099","0.0002","14.3201","0.0009","18.211","0.0009","90","","90","","90","","1851.3","0.16","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 B F4 Mo N2 O2 -","- C17 H17 B F4 Mo N2 O2 -","- C68 H68 B4 F16 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0477","0.0447","","","0.1163","0.1202","","","","","","1.248","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219914","12.938","0.0004","13.371","0.0008","16.2521","0.0014","90","","128.131","0.005","90","","2211.5","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl Mo N2 O2 -","- C25 H21 Cl Mo N2 O2 -","- C100 H84 Cl4 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0797","0.0544","","","0.1524","0.1807","","","","","","1.051","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219915","13.694","0.0012","14.7491","0.001","15.147","0.0007","79.665","0.004","65.358","0.004","73.381","0.006","2658.2","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl3 Mo N2 O2 -","- C28 H25 Cl3 Mo N2 O2 -","- C112 H100 Cl12 Mo4 N8 O8 -","4","2","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0398","0.0276","","","0.0601","0.0689","","","","","","1.111","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219916","10.189","0.0008","13.6211","0.0012","17.553","0.0009","90","","117.631","0.006","90","","2158.3","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F4 Mo N2 O2 -","- C23 H19 B F4 Mo N2 O2 -","- C92 H76 B4 F16 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.047","0.0314","","","0.0645","0.0712","","","","","","1.103","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219917","18.7282","0.0004","19.5668","0.0007","20.1671","0.0004","90","","115.422","0.003","90","","6674.7","0.3","150","1","150","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C69 H61 B3 Cl2 F12 Mo2 N6 O4 -","- C69 H61 B3 Cl2 F12 Mo2 N6 O4 -","- C276 H244 B12 Cl8 F48 Mo8 N24 O16 -","4","0.5","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; R°užičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0966","0.059","","","0.1169","0.1361","","","","","","1.103","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219918","13.0251","0.0012","9.116","0.0003","14.085","0.001","90","","95.768","0.009","90","","1663.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl Mo N O2 -","- C18 H16 Cl Mo N O2 -","- C72 H64 Cl4 Mo4 N4 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0295","0.0239","","","0.0533","0.0575","","","","","","1.128","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219919","15.098","0.0014","14.976","0.0014","20.7031","0.0016","90","","90","","90","","4681.1","0.7","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br Mo N2 O2 -","- C27 H23 Br Mo N2 O2 -","- C216 H184 Br8 Mo8 N16 O16 -","8","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0472","0.0324","","","0.0735","0.0842","","","","","","1.133","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219944","9.543","0.002","9.544","0.002","25.269","0.006","90","","90","","90","","2301.5","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 O7 S -","- C10.2857 H18.2857 O8 S1.14286 -","- C72 H128 O56 S8 -","7","1.75","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.1163","0.0622","","","0.1484","0.1881","","","","","","0.857","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219945","8.0439","0.0007","9.9065","0.0009","12.9817","0.0012","89.535","0.003","90.022","0.003","89.979","0.003","1034.44","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H29 N O6 S -","- C20 H29 N O6 S -","- C40 H58 N2 O12 S2 -","2","2","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.1754","0.07","","","0.1299","0.177","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:40",""
"7219946","29.038","0.006","5.6706","0.0012","19.411","0.004","90","","123.093","0.006","90","","2677.8","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H35 N O6 S -","- C26 H35 N O6 S -","- C104 H140 N4 O24 S4 -","4","1","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.2378","0.1047","","","0.1834","0.2417","","","","","","1.066","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219977","16.92","0.002","9.0785","0.0009","15.7191","0.0019","90","","110.502","0.013","90","","2261.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","alpha amino amidine","2-(2-azidophenyl)-N-tert-butyl-N-phenyl-2-(phenylamino)acetimidamide","","- C24 H26 N6 -","- C24 H26 N6 -","- C96 H104 N24 -","4","1","","Sagar, A.; Babu, Venkata Nagarjuna; Sharada, Duddu. S.","Silica gel promoted environment-friendly synthesis of α-amino amidines and regioselective transformation of α-amino amidines into amidino substituted indazoles","RSC Adv.","2015","5","37","29066","","10.1039/C5RA02491A","","","1.54184","CuKα","","0.1465","0.0927","","","0.2269","0.326","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:40",""
"7219978","11.501","0.0011","11.7613","0.0015","18.1827","0.0015","81.571","0.009","78.506","0.007","61.154","0.012","2107.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3-amidino substituted 2H-indazole","N-tert-butyl-N2-diphenyl-2H-indazole-3-carboximidamide","","- C24 H24 N4 -","- C24 H24 N4 -","- C96 H96 N16 -","4","2","","Sagar, A.; Babu, Venkata Nagarjuna; Sharada, Duddu. S.","Silica gel promoted environment-friendly synthesis of α-amino amidines and regioselective transformation of α-amino amidines into amidino substituted indazoles","RSC Adv.","2015","5","37","29066","","10.1039/C5RA02491A","","","1.54184","CuKα","","0.1264","0.0622","","","0.216","0.24","","","","","","1.09","","","","has coordinates","301864","2025-08-22","15:14:40",""
"7219980","8.4025","0.0006","8.9518","0.0006","22.4061","0.0015","90","","90","","90","","1685.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Ganesan, Asaithampi; Kothandapani, Jagatheeswaran; Nanubolu, Jagadeesh Babu; Ganesan, Subramaniapillai Selva","Oleic acid: a benign Brønsted acidic catalyst for densely substituted indole derivative synthesis","RSC Adv.","2015","5","36","28597","","10.1039/C5RA02906F","","","0.71073","MoKα","","0.0398","0.038","","","0.1121","0.1139","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:40",""
"7219981","13.3929","0.0001","5.4658","0.0001","33.5433","0.0004","90","","97.438","0.001","90","","2434.81","0.06","130","0.1","130","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H25 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","2","","Hickey, Shane M.; Ashton, Trent D.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.","Synthesis of norbornane bisether antibiotics via silver-mediated alkylation","RSC Adv.","2015","5","36","28582","","10.1039/C5RA03321G","","","1.5418","CuKα","","0.0432","0.0431","","","0.1161","0.1162","","","","","","1.047","","","","has coordinates,has disorder","193656","2020-10-21","18:00:00",""
"7220103","9.1521","0.0004","11.4375","0.0004","19.7882","0.0006","90","","90","","90","","2071.37","0.13","291","2","291","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","1","","Denißen, Melanie; Nordmann, Jan; Dziambor, Julian; Mayer, Bernhard; Frank, Walter; Müller, Thomas J. J.","Sequential palladium catalyzed coupling–cyclocondensation–coupling (C3) four-component synthesis of intensively blue luminescent biarylsubstituted pyrazoles","RSC Adv.","2015","5","43","33838","","10.1039/C5RA03104D","","","0.71073","MoKα","","0.0338","0.0324","","","0.0913","0.0925","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220106","12.4915","0.0002","13.3518","0.0002","9.9705","0.0001","90","","90","","90","","1662.92","0.04","106","8","106","8","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H52 N5 O10 P3 -","- C26 H52 N5 O10 P3 -","- C52 H104 N10 O20 P6 -","2","0.5","","Gutowska, Natalia; Seliger, Piotr; Andrijewski, Grzegorz; Siwy, Mariola; Małecka, Magdalena; Kusz, Joachim","Single and double crown macrocyclic derivatives of cyclotriphosphazene as receptors of silver(i) ions","RSC Adv.","2015","5","48","38435","","10.1039/C5RA02469B","","","0.71073","MoKα","","0.0317","0.0273","","","0.0721","0.0758","","","","","","1.112","","","","has coordinates","301865","2025-08-22","16:16:39",""
"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",""
"7220164","6.27","0.004","7.007","0.003","15.402","0.005","97.886","0.005","95.917","0.005","114.306","0.005","601.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N2 O10 -","- C26 H28 Co N2 O10 -","- C26 H28 Co N2 O10 -","1","0.5","","Tabassum, Sartaj; Singh, Ruchi; Zaki, Mehvash; Ahmad, Musheer; Afzal, Mohd.","Synthesis and crystal structure determination of a mononuclear cobalt(ii) complex derived from 4-(pyridin-4-ylmethoxy)-benzoic acid: evaluation of the DNA/protein interaction and photo-induced pBR322 DNA cleavage","RSC Adv.","2015","5","45","35843","","10.1039/C5RA01611H","","","0.71073","MoKα","","0.0516","0.0437","","","0.1123","0.1423","","","","","","1.147","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220177","8.3638","0.0008","13.8405","0.0012","11.1316","0.0011","90","","94.755","0.001","90","","1284.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","aniduquinolones A","","","- C27 H33 N O6 -","- C27 H33 N O6 -","- C54 H66 N2 O12 -","2","1","","Zhang, Peng; Meng, Ling-Hong; Mándi, Attila; Li, Xiao-Ming; Kurtán, Tibor; Wang, Bin-Gui","Structure, absolute configuration, and conformational study of resorcylic acid derivatives and related congeners from the fungus Penicillium brocae","RSC Advances","2015","5","50","39870","39877","10.1039/c5ra02203g","","","0.71073","MoKα","","0.0764","0.0496","","","0.0992","0.1069","","","","","","1.058","","","","has coordinates,has disorder","218749","2020-10-21","18:00:00",""
"7220182","9.0223","0.0002","9.0135","0.0002","28.2468","0.0006","90","","92.201","0.001","90","","2295.41","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F N2 O3 -","- C28 H23 F N2 O3 -","- C112 H92 F4 N8 O12 -","4","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.062","0.0468","","","0.1134","0.1219","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220183","8.0748","0.0006","19.8897","0.0015","14.2381","0.001","90","","92.183","0.005","90","","2285.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.055","0.0458","","","0.1253","0.1344","","","","","","0.974","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220184","8.6019","0.0002","11.274","0.0003","12.5983","0.0003","92.118","0.001","105.254","0.001","101.513","0.001","1149.81","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 F N O2 -","- C29 H26 F N O2 -","- C58 H52 F2 N2 O4 -","2","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.0513","0.0396","","","0.1036","0.1125","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220185","8.5512","0.0005","11.025","0.0007","12.6098","0.0005","88.967","0.003","76.327","0.002","78.699","0.002","1132.23","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Cl F N O -","- C28 H23 Cl F N O -","- C56 H46 Cl2 F2 N2 O2 -","2","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.0698","0.0476","","","0.1248","0.1387","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220199","6.852","0.001","9.607","0.005","10.857","0.007","102.68","0.04","93.21","0.03","92.5","0.03","695","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C30 H22 N10 O4 -","2","1","","Tber, Z.; Hiebel, M.-A.; Allouchi, H.; El Hakmaoui, A.; Akssira, M.; Guillaumet, G.; Berteina-Raboin, S.","Metal free direct formation of various substituted pyrido[2′,1′:2,3]imidazo[4,5-c]isoquinolin-5-amines and their further functionalization","RSC Adv.","2015","5","44","35201","","10.1039/C5RA03703D","","x-ray","0.71073","MoKα","","0.2353","0.1313","","","0.3112","0.3824","","","","","","1.067","","","","has coordinates","135759","2020-10-21","18:00:00",""
"7220200","43.065","0.003","5.4072","0.0011","17.347","0.008","90","","91.73","0.02","90","","4038","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 F3 N4 O -","- C23 H14 F3 N4 O -","- C184 H112 F24 N32 O8 -","8","1","","Tber, Z.; Hiebel, M.-A.; Allouchi, H.; El Hakmaoui, A.; Akssira, M.; Guillaumet, G.; Berteina-Raboin, S.","Metal free direct formation of various substituted pyrido[2′,1′:2,3]imidazo[4,5-c]isoquinolin-5-amines and their further functionalization","RSC Adv.","2015","5","44","35201","","10.1039/C5RA03703D","","x-ray","0.71073","MoKα","","0.3147","0.1407","","","0.3764","0.4492","","","","","","1.221","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220201","3.6886","0.0003","3.6886","0.0003","8.9149","0.0014","90","","90","","90","","121.29","0.02","180","2","180","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Fe1.15 H Li0.85 O S -","- Fe1.146 H Li0.854 O S -","- Fe2.292 H2 Li1.708 O2 S2 -","2","0.125","","Zhang, Xian; Lai, Xiaofang; Yi, Na; He, Jianqiao; Chen, Haijie; Zhang, Hui; Lin, Jianhua; Huang, Fuqiang","Synthesis, crystal structure and physical properties of [Li0.85Fe0.15OH][FeS]","RSC Adv.","2015","5","48","38248","","10.1039/C5RA04037J","","","0.71073","MoKα","","0.0306","0.0303","","","0.0813","0.0815","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220207","9.6387","0.0006","10.9157","0.0007","14.6164","0.0009","71.286","0.001","86.654","0.001","69.072","0.001","1357.7","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cd Cl2 N8 O11 -","- C18 H26 Cd Cl2 N8 O11 -","- C36 H52 Cd2 Cl4 N16 O22 -","2","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0335","0.031","","","0.0728","0.0747","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220208","9.6873","0.0004","10.9691","0.0005","14.6472","0.0006","71.049","0.001","86.413","0.001","69.045","0.001","1372.17","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24.35 Cd Cl1.64 N8 O11.36 S0.35 -","- C18 H24.359 Cd Cl1.641 N8 O11.359 S0.359 -","- C36 H48.718 Cd2 Cl3.282 N16 O22.718 S0.718 -","2","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0402","0.0315","","","0.0873","0.0947","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220209","9.6128","0.0005","10.597","0.0006","12.3183","0.0007","78.814","0.001","79.904","0.001","85.368","0.001","1210.51","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Ag Cl N4 O4 -","- C9 H10 Ag Cl N4 O4 -","- C36 H40 Ag4 Cl4 N16 O16 -","4","2","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0327","0.0282","","","0.0632","0.0655","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220210","9.5176","0.0018","11.006","0.002","12.411","0.002","89.458","0.002","80.103","0.002","69.138","0.002","1194.9","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H20 Cd Cl N9 O4 S -","- C19 H20 Cd Cl N9 O4 S -","- C38 H40 Cd2 Cl2 N18 O8 S2 -","2","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0251","0.0232","","","0.0585","0.0601","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220211","10.3992","0.0009","21.9601","0.0018","10.45","0.0009","90","","91.022","0.002","90","","2386.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd F6 N8 O2 Si -","- C18 H24 Cd F6 N8 O2 Si -","- C72 H96 Cd4 F24 N32 O8 Si4 -","4","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.045","0.0274","","","0.0641","0.0746","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220225","12.9325","0.0008","13.5537","0.0009","7.1627","0.0006","90","","112.212","0.009","90","","1162.33","0.16","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- K0.13 Mg Mo3 Na3.87 O12 -","- K0.131 Mg Mo3 Na3.869 O12 -","- K0.524 Mg4 Mo12 Na15.476 O48 -","4","0.5","","Ennajeh, Ines; Georges, Samuel; Smida, Youssef Ben; Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Boughazala, Habib","Synthesis, crystal structure, sintering and electrical properties of a new alluaudite-like triple molybdate K0.13Na3.87MgMo3O12","RSC Adv.","2015","5","49","38918","","10.1039/C5RA02276B","","","0.71073","MoKα","","0.0256","0.0241","","","0.0579","0.0584","","","","","","1.229","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7220463","25.335","0.003","12.8383","0.0013","24.821","0.003","90","","109.755","0.004","90","","7598.1","1.5","123","","123","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 F6 Ir N6 O4 P S2 -","- C36 H28 F6 Ir N6 O4 P S2 -","- C288 H224 F48 Ir8 N48 O32 P8 S16 -","8","1","","Ertl, Cathrin D.; Cerdá, Jesús; Junquera-Hernández, José M.; Pertegás, Antonio; Bolink, Henk J.; Constable, Edwin C.; Neuburger, Markus; Ortí, Enrique; Housecroft, Catherine E.","Colour tuning by the ring roundabout: [Ir(C^N)2(N^N)]+emitters with sulfonyl-substituted cyclometallating ligands","RSC Adv.","2015","5","53","42815","","10.1039/C5RA07940C","","","1.54178","CuKα","","0.0251","0.0239","","0.0282","0.0257","0.0248","","","","","","1.0886","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220472","7.3423","0.0003","8.8649","0.0004","11.4482","0.0005","89.44","0.004","80.271","0.003","67.287","0.003","676.22","0.05","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cu N5 O6 -","- C10 H11 Cu N5 O6 -","- C20 H22 Cu2 N10 O12 -","2","1","","Pal, Pampi; Konar, Saugata; El Fallah, Mohamed Salah; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2'-pyridyl)-pyrazole-Cu(II)","RSC Advances","2015","5","56","45082","45091","10.1039/c5ra04241k","","","1.54178","CuKα","","0.0536","0.0477","","","0.1222","0.126","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220473","20.402","0.005","7.233","0.005","18.215","0.005","90","","112.363","0.005","90","","2485.8","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cu2 N6 O9 -","- C24 H24 Cu2 N6 O9 -","- C96 H96 Cu8 N24 O36 -","4","0.5","","Pal, Pampi; Konar, Saugata; El Fallah, Mohamed Salah; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2'-pyridyl)-pyrazole-Cu(II)","RSC Advances","2015","5","56","45082","45091","10.1039/c5ra04241k","","","0.71069","MoKα","","0.0406","0.0361","","","0.0919","0.0941","","","","","","1.052","","","","has coordinates","218753","2020-10-21","18:00:00",""
"7220496","6.09236","0.00014","12.7347","0.0003","30.1234","0.0008","90","","90","","90","","2337.11","0.1","110.01","0.16","110.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C108 H152 O12 -","4","1","","Wang, Qing; Ma, Xiangling; He, Jiawei; Li, Yuanzhi; Li, Hui","Insights into the fatty acid ester norethisterone enanthate binding to human albumin: fluorescence, circular dichroism, and docking investigations","RSC Adv.","2015","5","55","44696","","10.1039/C5RA06844D","","x-ray","1.54184","CuKα","","0.0569","0.0543","","","0.1376","0.1404","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220501","9.3372","0.0005","9.6286","0.0003","19.5494","0.0006","90","","90","","90","","1757.57","0.12","104.3","","104.3","","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","(R)-glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.5418","CuKα","","0.0352","0.0334","","","0.0866","0.0879","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220502","9.3355","0.0003","9.6307","0.0003","19.5386","0.0003","90","","90","","90","","1756.66","0.08","100.8","","100.8","","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","(S)-glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.5418","CuKα","","0.0374","0.0357","","","0.0895","0.0908","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220503","9.33933","0.00018","19.7504","0.0004","9.61969","0.00017","90","","90","","90","","1774.4","0.06","180.01","0.1","180.01","0.1","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","Glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.54184","CuKα","","0.0313","0.0289","","","0.0745","0.0763","","","","","","1.026","","","","has coordinates,has disorder","301865","2025-08-22","16:16:40",""
"7220543","8.83","0.002","12.98","0.003","10.115","0.003","90","","93.87","0.003","90","","1156.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy","Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes","RSC Adv.","2015","5","57","46031","","10.1039/C5RA04498G","","","0.71073","MoKα","","0.0342","0.0314","","","0.0789","0.0808","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220544","6.845","0.004","15.614","0.011","24.566","0.015","90","","90","","90","","2626","3","150.15","","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N4 O S -","- C13 H14 N4 O S -","- C104 H112 N32 O8 S8 -","8","1","","Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy","Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes","RSC Adv.","2015","5","57","46031","","10.1039/C5RA04498G","","","0.71073","MoKα","","0.0777","0.0659","","","0.1853","0.1983","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220545","19.2985","0.0014","11.9741","0.0014","15.3857","0.0013","90","","106.181","0.004","90","","3414.5","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H39 N11 Ni O5 S2 -","- C29 H39 N11 Ni O5 S2 -","- C116 H156 N44 Ni4 O20 S8 -","4","0.5","","Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy","Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes","RSC Adv.","2015","5","57","46031","","10.1039/C5RA04498G","","","0.71073","MoKα","","0.0406","0.0346","","","0.0904","0.0965","","","","","","1.03","","","","has coordinates,has disorder","137198","2020-10-21","18:00:00",""
"7220548","6.30805","0.00013","14.8331","0.0003","16.7092","0.0003","90","","90","","90","","1563.45","0.05","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4, 5-seco-probotryenol A","","","- C15 H28 O3 -","- C15 H28 O3 -","- C60 H112 O12 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A–C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","","1.54184","CuKα","","0.0297","0.0281","","","0.0698","0.0708","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220549","9.13361","0.00013","10.68806","0.00014","13.75024","0.00019","90","","90","","90","","1342.31","0.03","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","12-hydroxydehydrobotrydienol","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A–C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","x-ray","1.54184","CuKα","","0.0301","0.029","","","0.0728","0.0738","","","","","","1.107","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220550","8.8587","0.0003","10.9481","0.0004","13.7817","0.0005","90","","90","","90","","1336.63","0.08","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","dehydrobotrydienol","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A–C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","x-ray","1.54178","CuKα","","0.0819","0.073","","","0.1899","0.2014","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220579","6.574","0.0013","22.414","0.005","7.9769","0.0016","90","","113.126","0.004","90","","1080.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N4 O3 -","- C11 H8 N4 O3 -","- C44 H32 N16 O12 -","4","1","","Fershtat, Leonid L.; Ananyev, Ivan V.; Makhova, Nina N.","Efficient assembly of mono- and bis(1,2,4-oxadiazol-3-yl)furoxan scaffolds via tandem reactions of furoxanylamidoximes","RSC Adv.","2015","5","58","47248","","10.1039/C5RA07295F","","","0.71073","MoKα","","0.1135","0.0625","","","0.1258","0.1429","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220588","8.2784","0.001","7.0371","0.0009","16.043","0.002","90","","99.097","0.002","90","","922.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O6 Pt -","- C6 H6 N2 O6 Pt -","- C24 H24 N8 O24 Pt4 -","4","1","","Zhu, Ming-Chang; Cui, Xiao-Ting; Zhao, Fu-Chen; Ma, Xiao-Yu; Han, Zheng-Bo; Gao, En-Jun","Synthesis, characterization, and DNA interaction of novel Pt(ii) complexes and their cytotoxicity, apoptosis and molecular docking","RSC Adv.","2015","5","59","47798","","10.1039/C5RA04972E","","","0.71073","MoKα","","0.0205","0.0185","","","0.0456","0.0466","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220589","7.6445","0.0017","18.415","0.004","7.137","0.0016","90","","96.371","0.003","90","","998.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O7 Pt -","- C7 H9 N O7 Pt -","- C28 H36 N4 O28 Pt4 -","4","1","","Zhu, Ming-Chang; Cui, Xiao-Ting; Zhao, Fu-Chen; Ma, Xiao-Yu; Han, Zheng-Bo; Gao, En-Jun","Synthesis, characterization, and DNA interaction of novel Pt(ii) complexes and their cytotoxicity, apoptosis and molecular docking","RSC Adv.","2015","5","59","47798","","10.1039/C5RA04972E","","","0.71073","MoKα","","0.0253","0.0217","","","0.0536","0.0555","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220646","6.603","0.003","8.575","0.003","14.794","0.005","90","","112.346","0.015","90","","774.7","0.5","293.2","","293.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Eu K N0 O9 S -","- C2 H2 Eu K O9 S -","- C8 H8 Eu4 K4 O36 S4 -","4","1","","Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu","Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture","RSC Adv.","2015","5","61","49110","","10.1039/C5RA07602A","","","0.71073","MoKα","","0.0294","0.0279","","","0.072","0.0727","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220647","6.574","0.009","8.561","0.012","14.775","0.019","90","","112.6","0.05","90","","767.7","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 K O9 S Tb -","- C2 H2 K O9 S Tb -","- C8 H8 K4 O36 S4 Tb4 -","4","1","","Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu","Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture","RSC Adv.","2015","5","61","49110","","10.1039/C5RA07602A","","","0.71073","MoKα","","0.0381","0.0362","","","0.1091","0.1101","","","","","","1.242","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220648","6.551","0.002","8.512","0.003","14.719","0.004","90","","112.515","0.012","90","","758.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Dy K O9 S -","- C2 H2 Dy K O9 S -","- C8 H8 Dy4 K4 O36 S4 -","4","1","","Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu","Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture","RSC Adv.","2015","5","61","49110","","10.1039/C5RA07602A","","","0.71073","MoKα","","0.0201","0.0188","","","0.0486","0.049","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220666","20.861","0.005","15.959","0.005","13.286","0.005","90","0.005","96.789","0.005","90","0.005","4392","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N12 O8 Zn3 -","- C28 H18 N12 O8 Zn3 -","- C112 H72 N48 O32 Zn12 -","4","0.5","","Hu, Xiao-Li; Qin, Chao; Zhao, Liang; Liu, Fu-Hong; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of Zn-metal organic frameworks based on a N-rich ligand: selective sorption for CO2and luminescence sensing of nitro explosives","RSC Adv.","2015","5","61","49606","","10.1039/C5RA05945C","","","0.71069","MoKα","","0.0666","0.047","","","0.1202","0.1273","","","","","","1.006","","","","has coordinates","137890","2020-10-21","18:00:00",""
"7220667","16.279","0.005","6.82","0.005","23.711","0.005","90","0.005","103.97","0.005","90","0.005","2555","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Br N6 O5 Zn2 -","- C18 H9 Br N6 O5 Zn2 -","- C72 H36 Br4 N24 O20 Zn8 -","4","1","","Hu, Xiao-Li; Qin, Chao; Zhao, Liang; Liu, Fu-Hong; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of Zn-metal organic frameworks based on a N-rich ligand: selective sorption for CO2and luminescence sensing of nitro explosives","RSC Adv.","2015","5","61","49606","","10.1039/C5RA05945C","","","0.71069","MoKα","","0.0619","0.055","","","0.1639","0.1691","","","","","","1.086","","","","has coordinates,has disorder","137890","2020-10-21","18:00:00",""
"7220668","16.3265","0.0002","18.2018","0.0002","26.5776","0.0003","90","","90","","90","","7898.11","0.16","173","","173","2","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","3,6-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-2,7-dimethoxycarbazole","","- C50 H49 N O2 -","- C50 H49 N O2 -","- C400 H392 N8 O16 -","8","1","","Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.","Structure–property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles","RSC Adv.","2015","5","61","49577","","10.1039/C5RA09161F","","","0.71073","MoKα","","0.113","0.072","","0.163","0.155","0.155","","","1.07","1.163","1.163","1.158","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220669","20.8163","0.0005","7.6277","0.0002","26.4292","0.0005","90","","91.0202","0.0015","90","","4195.78","0.17","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,7-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-3,6-dimethoxycarbazole","","- C101 H102 N2 O5 -","- C101 H102 N2 O5 -","- C202 H204 N4 O10 -","2","0.5","","Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.","Structure–property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles","RSC Adv.","2015","5","61","49577","","10.1039/C5RA09161F","","","0.71073","MoKα","","0.1674","0.0918","","","0.2235","0.2709","","","","","","0.999","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220673","13.2726","0.0008","14.2499","0.0008","13.8765","0.0008","90","","98.915","0.001","90","","2592.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O5 S -","- C30 H28 N2 O5 S -","- C120 H112 N8 O20 S4 -","4","1","","Lei, Yu; Zhang, Xiao-Nan; Yang, Xue-Yan; Xu, Qin; Shi, Min","Regio- and diastereoselective construction of 1′,2′-(dihydrospiro[indoline-3,3′-pyrrol]-2′-yl)acrylates through phosphine-catalyzed [4 + 1] annulation of Morita–Baylis–Hillman carbonates with oxindole-derived α,β-unsaturated imines","RSC Adv.","2015","5","61","49657","","10.1039/C5RA09147K","","","0.71073","MoKα","","0.0811","0.048","","","0.1222","0.144","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220674","29.462","0.004","12.7234","0.0015","11.2553","0.0014","90","","90","","90","","4219.1","0.9","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C41 H49 Br Cl2 N2 O5 S -","- C41 H49 Br Cl2 N2 O5 S -","- C164 H196 Br4 Cl8 N8 O20 S4 -","4","1","","Lei, Yu; Zhang, Xiao-Nan; Yang, Xue-Yan; Xu, Qin; Shi, Min","Regio- and diastereoselective construction of 1′,2′-(dihydrospiro[indoline-3,3′-pyrrol]-2′-yl)acrylates through phosphine-catalyzed [4 + 1] annulation of Morita‒Baylis‒Hillman carbonates with oxindole-derived α,β-unsaturated imines","RSC Adv.","2015","5","61","49657","","10.1039/C5RA09147K","","","0.71073","MoKα","","0.1462","0.0662","","","0.1523","0.1859","","","","","","0.978","","","","has coordinates","137893","2020-10-21","18:00:00",""
"7220706","9.0499","0.0005","22.576","0.004","10.339","0.002","90","","95.574","0.003","90","","2102.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 Sn -","- C23 H21 N3 O2 Sn -","- C92 H84 N12 O8 Sn4 -","4","1","","Yadav, Shipra; Yousuf, Imtiyaz; Usman, Mohammad; Ahmad, Musheer; Arjmand, Farukh; Tabassum, Sartaj","Synthesis and spectroscopic characterization of diorganotin(iv) complexes of N′-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide: chemotherapeutic potential validation by in vitro interaction studies with DNA/HSA, DFT, molecular docking and cytotoxic activity","RSC Adv.","2015","5","63","50673","","10.1039/C5RA06953J","","","0.71073","MoKα","","0.0502","0.0384","","","0.0879","0.1126","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220760","7.9614","0.0008","23.877","0.002","8.4244","0.0008","90","","109.146","0.003","90","","1512.8","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl Cu2 N6 O10 -","- C25 H33 Cl Cu2 N6 O10 -","- C50 H66 Cl2 Cu4 N12 O20 -","2","1","","Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction","RSC Adv.","2015","5","64","51730","","10.1039/C5RA06357D","","","0.71073","MoKα","","0.0744","0.0669","","","0.1913","0.1964","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220761","10.9647","0.0008","11.4494","0.0009","11.6578","0.0009","85.912","0.001","74.68","0.001","71.026","0.001","1334.64","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl2 Cu2 N5 O7 -","- C22 H29 Cl2 Cu2 N5 O7 -","- C44 H58 Cl4 Cu4 N10 O14 -","2","1","","Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction","RSC Adv.","2015","5","64","51730","","10.1039/C5RA06357D","","","0.71073","MoKα","","0.0714","0.0459","","","0.0943","0.1081","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220859","8.0157","0.0009","25.291","0.003","11.9431","0.0015","90","","92.129","0.007","90","","2419.5","0.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H32 Ga N S2 -","- C25 H32 Ga N S2 -","- C100 H128 Ga4 N4 S8 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki","High HOMO levels and narrow energy band gaps of dithienogalloles","RSC Adv.","2015","5","68","55406","","10.1039/C5RA08584E","","","0.71075","MoKα","","0.0698","0.0458","","","0.1032","0.1129","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220860","11.6396","0.0007","14.2359","0.0009","23.9678","0.0016","90","","90","","90","","3971.5","0.4","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 Cl3 Ga N S2 Si2 -","- C32 H49 Cl3 Ga N S2 Si2 -","- C128 H196 Cl12 Ga4 N4 S8 Si8 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki","High HOMO levels and narrow energy band gaps of dithienogalloles","RSC Adv.","2015","5","68","55406","","10.1039/C5RA08584E","","","0.71075","MoKα","","0.1402","0.0753","","","0.1647","0.1911","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220861","9.0885","0.0009","10.1681","0.0009","15.4664","0.001","88.451","0.006","87.493","0.007","66.259","0.009","1307","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C52 H52 Br4 N8 O8 -","4","2","","Luo, Jing; Chen, Wenteng; Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Yu, Yongping","Synthesis of poly-functionalized imidazoles via vinyl azides annulation","RSC Adv.","2015","5","69","55808","","10.1039/C5RA07320K","","","0.71073","MoKα","","0.0889","0.0461","","","0.0883","0.1089","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220909","18.424","0.007","17.935","0.007","18.574","0.006","90","","110.646","0.01","90","","5743","4","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 B2 F4 N8 -","- C32 H24 B2 F4 N8 -","- C256 H192 B16 F32 N64 -","8","1","","Barbon, Stephanie M.; Price, Jacquelyn T.; Yogarajah, Umesh; Gilroy, Joe B.","Synthesis and characterization of conjugated/cross-conjugated benzene-bridged boron difluoride formazanate dimers","RSC Adv.","2015","5","69","56316","","10.1039/C5RA09505K","","","0.71073","MoKα","","0.0932","0.046","","","0.0912","0.1079","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220985","7.7281","0.0002","10.2249","0.0003","29.6634","0.0012","90","","90.696","0.003","90","","2343.8","0.13","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Fe -","- C34 H22 Fe -","- C136 H88 Fe4 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Synergistic effect of donors on tetracyanobutadine (TCBD) substituted ferrocenyl pyrenes","RSC Adv.","2015","5","71","57692","","10.1039/C5RA11433K","","","0.71073","MoKα","","0.0493","0.0353","","","0.0817","0.0895","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221026","12.9418","0.001","13.3852","0.0011","15.8438","0.0013","90","","90","","90","","2744.6","0.4","123","","123","","","","","","","","Fabian Brunner","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H12 Cu F18 N4 P -","- C24 H12 Cu F18 N4 P -","- C96 H48 Cu4 F72 N16 P4 -","4","1","","Brunner, Fabian; Klein, Y. Maximilian; Keller, Sarah; Morris, Collin D.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The beneficial effects of trifluoromethyl-substituents on the photoconversion efficiency of copper(i) dyes in dye-sensitized solar cells","RSC Adv.","2015","5","72","58694","","10.1039/C5RA09590E","","","1.54178","CuKα","","0.037","0.0369","","0.1038","0.1038","0.1038","","","","","","1.0014","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221184","8.5361","0.0004","6.5988","0.0003","13.2935","0.0007","90","","103.374","0.001","90","","728.49","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 N9 O -","- C2 H9 N9 O -","- C8 H36 N36 O4 -","4","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0445","0.0356","","","0.1008","0.1092","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221185","9.8873","0.0007","5.5314","0.0003","13.6734","0.0009","90","","90","","90","","747.81","0.08","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 N5 O -","- C H3 N5 O -","- C8 H24 N40 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0761","0.0415","","","0.0928","0.114","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221186","10.6535","0.0007","6.5711","0.0005","6.9431","0.0006","90","","101.531","0.002","90","","476.24","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H6 N6 O -","- C H6 N6 O -","- C4 H24 N24 O4 -","4","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0965","0.0681","","","0.181","0.2048","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221187","12.7785","0.0011","6.41","0.0006","16.5787","0.0015","90","","93.303","0.001","90","","1355.7","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 N8 O -","- C2 H8 N8 O -","- C16 H64 N64 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0602","0.0408","","","0.1067","0.1169","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221188","6.07","0.0006","7.1682","0.0007","10.6018","0.0009","76.852","0.001","88.343","0.002","65.406","0.001","407.32","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C6 H16 N20 O2 -","2","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.1121","0.0817","","","0.193","0.2065","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221189","7.0441","0.0005","12.0324","0.0011","10.1093","0.0008","90","","105.964","0.002","90","","823.79","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 N10 O -","- C2 H10 N10 O -","- C8 H40 N40 O4 -","4","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0836","0.0468","","","0.0848","0.0908","","","","","","1.185","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221190","12.8237","0.0006","6.7049","0.0003","20.2018","0.001","90","","90","","90","","1736.98","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H11 N11 O -","- C2 H11 N11 O -","- C16 H88 N88 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0533","0.0369","","","0.0872","0.0985","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:42",""
"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","301865","2025-08-22","16:16:43",""
"7221558","11.089","0.002","13.375","0.003","16.281","0.003","80.22","0.03","77.6","0.03","77.15","0.03","2280.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N O2 S -","- C26 H29 N O2 S -","- C104 H116 N4 O8 S4 -","4","2","","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","","0.0868","0.054","","","0.1309","0.1512","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221561","17.749","0.015","6.37","0.004","13.977","0.009","90","","115.421","0.013","90","","1427.3","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 K2 O15 P2 V2 -","- C2 H8 K2 O15 P2 V2 -","- C8 H32 K8 O60 P8 V8 -","4","0.5","","Hameed, A. Shahul; Reddy, M. V.; Sarkar, Nirjhar; Chowdari, B. V. R.; Vittal, Jagadese J.","Synthesis and electrochemical investigation of novel phosphite based layered cathodes for Li-ion batteries","RSC Adv.","2015","5","74","60630","","10.1039/C5RA12410G","","","0.71073","MoKα","","0.0537","0.0477","","","0.117","0.1212","","","","","","1.025","","","","has coordinates","152081","2020-10-21","18:00:00",""
"7221562","6.3255","0.0004","6.776","0.0005","8.0759","0.0006","104.992","0.001","101.679","0.001","99.12","0.001","319.2","0.04","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H6 Na2 O14 P2 V2 -","- C2 H6 Na2 O14 P2 V2 -","- C2 H6 Na2 O14 P2 V2 -","1","0.5","","Hameed, A. Shahul; Reddy, M. V.; Sarkar, Nirjhar; Chowdari, B. V. R.; Vittal, Jagadese J.","Synthesis and electrochemical investigation of novel phosphite based layered cathodes for Li-ion batteries","RSC Adv.","2015","5","74","60630","","10.1039/C5RA12410G","","","0.71073","MoKα","","0.0307","0.0288","","","0.0734","0.0745","","","","","","1.059","","","","has coordinates","152081","2020-10-21","18:00:00",""
"7221589","11.415","0.003","7.683","0.003","13.493","0.003","90","","95.6","0.02","90","","1177.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cu2 N8 O2 -","- C25 H20 Cu2 N8 O2 -","- C50 H40 Cu4 N16 O4 -","2","1","","Fadaee, Farzaneh; Amirnasr, Mehdi; Prša, Krunoslav; Pattison, Philip; Shaik, Noore Elahi; Rønnow, Henrik M.; Esrafili, Mehdi D.; Omrani, Arash A.; Amiri, Ahmad; Schenk-Joß, Kurt","Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(ii) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties","RSC Adv.","2015","5","74","59926","","10.1039/C4RA13755H","","x-ray","0.69711","synchrotron","","0.0444","0.0404","","","0.0952","0.1006","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221596","9.0438","0.0008","19.4513","0.0018","18.124","0.0017","90","","96.817","0.001","90","","3165.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl2 N2 Ni O2 -","- C37 H32 Cl2 N2 Ni O2 -","- C148 H128 Cl8 N8 Ni4 O8 -","4","1","","Tian, Jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Synthesis of well defined C–C bridged Ni(ii) complexes bearing β-ketoiminato-fluorene ligands by bifluorenyl in situ coupling and application for norbornene (co)polymerization","RSC Adv.","2015","5","76","61851","","10.1039/C5RA11630A","","","0.71073","MoKα","","0.1007","0.0638","","","0.1735","0.2031","","","","","","0.962","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221597","9.1247","0.0018","22.75","0.005","16.595","0.003","90","","103.533","0.002","90","","3349.3","1.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cl2 F6 N2 Ni O2 -","- C37 H26 Cl2 F6 N2 Ni O2 -","- C148 H104 Cl8 F24 N8 Ni4 O8 -","4","1","","Tian, Jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Synthesis of well defined C–C bridged Ni(ii) complexes bearing β-ketoiminato-fluorene ligands by bifluorenyl in situ coupling and application for norbornene (co)polymerization","RSC Adv.","2015","5","76","61851","","10.1039/C5RA11630A","","","0.71073","MoKα","","0.0585","0.0516","","","0.1379","0.1455","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221598","29.16","0.004","29.16","0.004","8.7046","0.0016","90","","90","","90","","7402","2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C304 H352 N32 O48 S16 -","16","1","","Nandi, Ganesh C.; Kota, Sudhakar R.; Wakchaure, Prasad B.; Chinthakindi, Praveen K.; Govender, Thavendran; Kruger, Hendrick G.; Naicker, Tricia; Arvidsson, Per I.","Pd-catalyzed C–N coupling of vinylbromides and sulfonimidamides: a facile synthesis of N′-vinylsulfonimidamides","RSC Adv.","2015","5","76","62084","","10.1039/C5RA10939F","","x-ray","0.71073","MoKα","","0.057","0.0478","","","0.1251","0.1324","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221599","12.107","0.002","10.601","0.002","18.803","0.004","90","","98.78","0.03","90","","2385","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C120 H112 N8 O12 -","4","1","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0583","0.0526","","","0.1213","0.1247","","","","","","1.147","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221600","16.786","0.002","16.7779","0.0019","35.405","0.004","90","","92.779","0.002","90","","9960","2","223.15","","223.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H27 Br N2 O5 -","- C27 H27 Br N2 O5 -","- C432 H432 Br16 N32 O80 -","16","4","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0732","0.0598","","","0.1148","0.1238","","","","","","1.095","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221601","9.994","0.003","10.991","0.006","12.398","0.008","107.882","0.004","108.124","0.01","95.032","0.006","1206.2","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C60 H56 N4 O6 -","2","1","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0517","0.0487","","","0.1218","0.124","","","","","","1.12","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221602","10.513","0.002","13.093","0.003","17.827","0.004","90","","90","","90","","2453.8","0.9","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N2 O5 -","- C27 H27 Cl N2 O5 -","- C108 H108 Cl4 N8 O20 -","4","1","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0371","0.0366","","","0.1003","0.1006","","","","","","1.136","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221676","7.9337","0.0001","8.0923","0.0001","10.7299","0.0002","99.19","0.001","92.525","0.001","96.497","0.001","674.313","0.018","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(4,5-dihydro-1,3-thiazol-2-ylthio)methyl] -6-methyl-2<i>H</i>-chromen-2-one","","- C14 H13 N O2 S2 -","- C14 H13 N O2 S2 -","- C28 H26 N2 O4 S4 -","2","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin–thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.0414","0.0379","","","0.1102","0.1135","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221677","7.3443","0.0003","7.7814","0.0003","12.6804","0.0004","85.486","0.002","82.226","0.002","65.984","0.002","655.63","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-chloro-4-[(4,5-dihydro-1,3-thiazol-2- ylthio)methyl]-2<i>H</i>-chromen-2-one","","- C13 H10 Cl N O2 S2 -","- C13 H10 Cl N O2 S2 -","- C26 H20 Cl2 N2 O4 S4 -","2","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin–thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.038","0.034","","","0.0921","0.0947","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221678","7.8774","0.0002","8.4986","0.0003","11.233","0.0003","91.435","0.002","107.376","0.002","107.927","0.002","677.16","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((4,5-dihydrothiazol-2-ylthio)methyl)-7- methyl-2<i>H</i>-chromen-2-one","","- C14 H13 N O2 S2 -","- C14 H13 N O2 S2 -","- C28 H26 N2 O4 S4 -","2","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin–thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.0526","0.0419","","","0.1166","0.1248","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221679","7.2356","0.0008","7.9426","0.001","25.027","0.003","90","","96.742","0.008","90","","1428.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((4,5-dihydrothiazol-2-ylthio)methyl)-5,7-dimethyl- 2<i>H</i>-chromen-2-one","","- C15 H15 N O2 S2 -","- C15 H15 N O2 S2 -","- C60 H60 N4 O8 S8 -","4","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin–thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.0953","0.0721","","","0.1491","0.159","","","","","","1.119","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221685","14.5687","0.0014","8.137","0.0005","16.2873","0.0016","90","","105.775","0.004","90","","1858.1","0.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,5-difluoro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical","","- C18 H6 Cl6 F2 N -","- C18 H6 Cl6 F2 N -","- C72 H24 Cl24 F8 N4 -","4","1","","Hattori, Yohei; Kusamoto, Tetsuro; Nishihara, Hiroshi","Highly photostable luminescent open-shell (3,5-dihalo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radicals: significant effects of halogen atoms on their photophysical and photochemical properties","RSC Adv.","2015","5","79","64802","","10.1039/C5RA14268G","","","0.7107","MoKα","","","0.0434","","","","0.1","","","","","","1.058","","","","has coordinates","152637","2020-10-21","18:00:00",""
"7221686","7.461","0.004","10.846","0.006","12.66","0.007","81.516","0.011","88.763","0.014","87.731","0.014","1012.3","1","113","","113","","","","","","","","","5","P -1","-P 1","2","","(3,5-dibromo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical","","- C18 H6 Br2 Cl6 N -","- C18 H6 Br2 Cl6 N -","- C36 H12 Br4 Cl12 N2 -","2","1","","Hattori, Yohei; Kusamoto, Tetsuro; Nishihara, Hiroshi","Highly photostable luminescent open-shell (3,5-dihalo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radicals: significant effects of halogen atoms on their photophysical and photochemical properties","RSC Adv.","2015","5","79","64802","","10.1039/C5RA14268G","","","0.7107","MoKα","","","0.1517","","","","0.4232","","","","","","1.173","","","","has coordinates","152637","2020-10-21","18:00:00",""
"7221709","10.9122","0.0016","11.4715","0.0018","23.486","0.003","90","","90","","90","","2940","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","PYR_07","","- C25 H34 N3 O10 -","- C25 H34 N3 O10 -","- C100 H136 N12 O40 -","4","1","","Lalwani, Komal G.; Aher, Ravindra D.; Sudalai, Arumugam","Organocatalytic [4+1]-annulation approach for the synthesis of densely functionalized pyrazolidine carboxylates","RSC Adv.","2015","5","80","65554","","10.1039/C5RA09583B","","","0.71073","MoKα","","0.1004","0.0774","","","0.1916","0.2113","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221711","20.638","0.003","10.9657","0.0016","19.312","0.003","90","","103.687","0.007","90","","4246.4","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl2 N2 Pt Si2 -","- C41 H35 Cl2 N2 Pt Si2 -","- C164 H140 Cl8 N8 Pt4 Si8 -","4","1","","Ni, Jun; Kang, Jia-Jia; Wang, Hui-Hui; Gai, Xu-Qiao; Zhang, Xiao-Xin; Jia, Ting; Xu, Liang; Pan, Yu-Zhen; Zhang, Jian-Jun","A colorimetric/luminescent benzene compound sensor based on a bis(σ-acetylide) platinum(ii) complex: enhancing selectivity and reversibility through dual-recognition sites strategy","RSC Adv.","2015","5","80","65613","","10.1039/C5RA13987B","","","0.71073","MoKα","","0.1326","0.0691","","","0.1468","0.178","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221712","7.1264","0.0004","38.16","0.002","14.3796","0.001","90","","96.337","0.004","90","","3886.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H33 Cl3 N2 Pt Si2 -","- C38.5 H33 Cl3 N2 Pt Si2 -","- C154 H132 Cl12 N8 Pt4 Si8 -","4","1","","Ni, Jun; Kang, Jia-Jia; Wang, Hui-Hui; Gai, Xu-Qiao; Zhang, Xiao-Xin; Jia, Ting; Xu, Liang; Pan, Yu-Zhen; Zhang, Jian-Jun","A colorimetric/luminescent benzene compound sensor based on a bis(σ-acetylide) platinum(ii) complex: enhancing selectivity and reversibility through dual-recognition sites strategy","RSC Adv.","2015","5","80","65613","","10.1039/C5RA13987B","","","0.71073","MoKα","","0.0484","0.0371","","","0.0974","0.1029","","","","","","1.055","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221714","18.012","0.002","6.5373","0.0008","14.3077","0.0019","90","","98.302","0.004","90","","1667.1","0.4","273","2","273","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Rao, Maddali L. N.; Dasgupta, Priyabrata","A concise route to functionalized benzofurans directly from gem-dibromoalkenes and phenols","RSC Adv.","2015","5","80","65462","","10.1039/C5RA13213D","","","0.71073","MoKα","","0.1541","0.0978","","","0.2589","0.3025","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221780","10.435","0.002","9.767","0.002","22.811","0.005","90","","93.83","0.03","90","","2319.7","0.8","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methyl-N-((7-methyl-2-phenylH-imidazo[1,2-a]pyridin-3-yl)(p-tolyl)methyl)pyridin-2-amine","","- C28 H26 N4 -","- C28 H26 N4 -","- C112 H104 N16 -","4","1","","Sanaeishoar, Haleh; Nazarpour, Roya; Mohave, Fouad","Novel one-pot pseudo four component reaction: expeditious synthesis of functionalized imidazo[1,2-a]pyridines","RSC Adv.","2015","5","84","68571","","10.1039/C5RA10891H","","","0.71073","MoKα","","0.0997","0.0621","","","0.1235","0.1381","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221784","6.8589","0.0005","26.104","0.0018","30.252","0.002","90","","90","","90","","5416.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Br N O4 -","- C30 H28 Br N O4 -","- C240 H224 Br8 N8 O32 -","8","2","","Maurya, Hardesh K.; Hasanain, Mohammad; Kumar, Ch. Pavan; Vasudeva, Prema G.; Sarkar, Jayanta; Chandrasekharam, M.; Gupta, Atul","Synthesis, photophysical and anticancer study of D-ring extended estrone analogues","RSC Adv.","2015","5","84","68843","","10.1039/C5RA11112A","","","0.71073","MoKα","","0.2057","0.0626","","","0.1214","0.1595","","","","","","0.931","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221812","11.7635","0.0014","11.8126","0.0014","12.2155","0.0014","72.343","0.004","86.285","0.004","83.168","0.004","1605.2","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C41 H39 N5 -","- C41 H39 N5 -","- C82 H78 N10 -","2","1","","Fürer, Sebastian O.; Bozic-Weber, Biljana; Neuburger, Markus; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic copper(i) sensitizers with one versus two hole-transporting units in functionalized 2,9-dimethyl-1,10-phenanthroline ancillary ligands","RSC Adv.","2015","5","85","69430","","10.1039/C5RA12296A","","","1.54178","CuKα","","0.0391","0.0375","","0.0477","0.0416","0.0411","","","","","","1.1112","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221816","8.5067","0.0004","8.5067","0.0004","26.288","0.002","90","","90","","90","","1902.3","0.19","120","1","120","1","","","","","","","","6","P 43","P 4cw","78","","","","- C15.5 H12 Fe N8 O1.5 S2 -","- C15.5 H6 Fe N8 O1.5 S2 -","- C62 H24 Fe4 N32 O6 S8 -","4","1","","Romero-Morcillo, Tania; Valverde-Muñoz, Francisco J.; Muñoz, M. Carmen; Herrera, Juan Manuel; Colacio, Enrique; Real, José A.","Two-step spin crossover behaviour in the chiral one-dimensional coordination polymer [Fe(HAT)(NCS)2]\ιnfty","RSC Adv.","2015","5","85","69782","","10.1039/C5RA13491A","","","0.71073","MoKα","","0.0753","0.0645","","","0.1685","0.1849","","","","","","0.942","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221822","34.719","0.007","7.6271","0.0015","11.943","0.002","90","","97.05","0.03","90","","3138.7","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C168 H108 N12 -","4","1","","Wei, Jinbei; Liang, Baoyan; Cheng, Xiao; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue","High-contrast and reversible mechanochromic luminescence of a D-π-A compound with a twisted molecular conformation","RSC Adv.","2015","5","88","71903","71910","10.1039/C5RA12050K","","","0.71073","MoKα","","0.0632","0.0443","","","0.115","0.1263","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221825","14.6421","0.0004","17.5486","0.0004","15.7326","0.0004","90","","113.693","0.0011","90","","3701.74","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bimetallic oxovanadiumV","","- C76 H106 N6 O7 V2 -","- C76 H106 N6 O7 V2 -","- C152 H212 N12 O14 V4 -","2","0.5","","Díaz-Urrutia, Christian; Chen, Wei-Ching; Crites, Charles-Oneil; Daccache, Jennifer; Korobkov, Ilia; Baker, R. Tom","Towards lignin valorisation: comparing homogeneous catalysts for the aerobic oxidation and depolymerisation of organosolv lignin","RSC Adv.","2015","5","86","70502","","10.1039/C5RA15694G","","","0.71073","MoKα","","0.043","0.0369","","","0.0963","0.103","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221831","6.0046","0.0006","6.0046","0.0006","45.98","0.006","90","","90","","120","","1435.7","0.3","293","2","293","2","","","","","","","see text","3","P 32 2 1","P 32 2""","154","","(1R,2R,6R,8S,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^{2,6}.0^{10,14}] tetradecan-4- one","","- C10 H12 O5 -","- C10 H12 O5 -","- C60 H72 O30 -","6","1","","Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan","The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C–H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran","RSC Adv.","2015","5","87","70899","","10.1039/C5RA13749G","","","1.5418","CuKα","","0.0522","0.042","","","0.0981","0.1058","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221832","10.42","0.005","5.899","0.003","15.377","0.008","90","","94.096","0.007","90","","942.8","0.8","291","2","291","2","","","","","","","see text","3","C 1 2 1","C 2y","5","","(1r,2R,6S,8r,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^2,6^.0^10,14^]tetradecane","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan","The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C–H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran","RSC Adv.","2015","5","87","70899","","10.1039/C5RA13749G","","","0.71073","MoKa","","0.0858","0.0778","","","0.1887","0.1933","","","","","","1.283","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221835","5.8603","0.0005","11.0162","0.0013","19.371","0.002","76.719","0.007","87.487","0.006","80.98","0.006","1202","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","5e","(E)-methyl 2-(4-benzyl-1-(3-(dimethylamino)propyl)-8-nitro-3- oxo-3,4-dihydropyrazino[2,3-b]quinoxalin-2(1H)-ylidene)acetate","","- C25 H26 N6 O5 -","- C25 H26 N6 O5 -","- C50 H52 N12 O10 -","2","1","","Kanungo, Ajay; Patra, Dipendu; Mukherjee, Sanghamitra; Mahata, Tridib; Maulik, Prakas R.; Dutta, Sanjay","Synthesis of a visibly emissive 9-nitro-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-5-amine scaffold with large stokes shift and live cell imaging","RSC Adv.","2015","5","87","70958","","10.1039/C5RA12960E","","","0.71073","MoKα","","0.1671","0.0558","","","0.1352","0.1831","","","","","","0.943","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221836","8.4267","0.0009","10.4362","0.0012","17.949","0.002","90","","100.189","0.007","90","","1553.6","0.3","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-methyl 2-(4-benzyl-1-(3-(dimethylamino)propyl)-8-nitro-3-oxo-3,4-dihydropyrazino[2,3-b]quinoxalin-2(1H)-ylidene)acetate","","- C16 H15 N5 O3 -","- C16 H15 N5 O3 -","- C64 H60 N20 O12 -","4","2","","Kanungo, Ajay; Patra, Dipendu; Mukherjee, Sanghamitra; Mahata, Tridib; Maulik, Prakas R.; Dutta, Sanjay","Synthesis of a visibly emissive 9-nitro-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-5-amine scaffold with large stokes shift and live cell imaging","RSC Adv.","2015","5","87","70958","","10.1039/C5RA12960E","","","0.71073","MoKα","","0.1039","0.0451","","","0.0985","0.1245","","","","","","0.958","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221936","12.6842","0.0005","20.3035","0.0008","8.2806","0.0003","90","","99.772","0.002","90","","2101.59","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(S)-ethyl 1-oxo-2-phenethyl-3-thioxo-1,2,3,7,12,12a-hexahydroimidazo[1',5':1,7]azepino[4,5-b]indole-6-carboxylate","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C100 H92 N12 O12 S4 -","4","1","","Barve, Indrajeet J.; Dalvi, Prashant B.; Thikekar, Tushar Ulhas; Chanda, Kaushik; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Design, synthesis and diversification of natural product-inspired hydantoin-fused tetrahydroazepino indoles","RSC Adv.","2015","5","89","73169","","10.1039/C5RA12063B","","","0.71073","MoKα","","0.055","0.0397","","","0.1212","0.1514","","","","","","1.157","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221937","6.654","0.0003","12.6487","0.0007","23.3926","0.0013","90","","97.152","0.003","90","","1953.51","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(S)-ethyl 2-(4-chlorophenyl)-1,3-dioxo-1,2,3,7,12,12a-hexahydroimidazo[1',5':1,7]azepino[4,5-b]indole-6-carboxylate","PD-N4-17","","- C23 H16 Cl N3 O4 -","- C23 H16 Cl N3 O4 -","- C92 H64 Cl4 N12 O16 -","4","1","","Barve, Indrajeet J.; Dalvi, Prashant B.; Thikekar, Tushar Ulhas; Chanda, Kaushik; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Design, synthesis and diversification of natural product-inspired hydantoin-fused tetrahydroazepino indoles","RSC Adv.","2015","5","89","73169","","10.1039/C5RA12063B","","","1.54178","CuKα","","0.1359","0.0852","","","0.2415","0.2862","","","","","","1.132","","","","has coordinates","153788","2020-10-21","18:00:00",""
"7221938","7.9602","0.0007","8.6689","0.0007","11.7774","0.0011","94.238","0.005","97.302","0.006","96.834","0.005","797.12","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","(S)-5-ethyl 2-methyl 1, 2, 3, 6 -tetrahydroazepino[4,5-b]indole-2,5-dicarboxylate","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","2","","Barve, Indrajeet J.; Dalvi, Prashant B.; Thikekar, Tushar Ulhas; Chanda, Kaushik; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Design, synthesis and diversification of natural product-inspired hydantoin-fused tetrahydroazepino indoles","RSC Adv.","2015","5","89","73169","","10.1039/C5RA12063B","","","1.54178","CuKα","","0.0779","0.0744","","","0.1953","0.2031","","","","","","1.096","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221946","9.65081","0.00023","3.21627","0.000077","11.30393","0.00032","90","","90","","90","","350.87","0.015","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.06","1.929","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221947","9.67494","0.00049","3.22534","0.00017","11.33068","0.0005","90","","90","","90","","353.57","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.13","1.803","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221948","9.7188","0.0012","3.23908","0.00038","11.3825","0.0014","90","","90","","90","","358.32","0.08","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.98","1.706","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7222015","11.3834","0.0014","12.9542","0.0016","26.397","0.003","90","","90","","90","","3892.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 N2 O3 S -","- C24 H18 N2 O3 S -","- C192 H144 N16 O24 S8 -","8","1","","Huang, Zhi-You; Yang, Jing-Fang; Chen, Qian; Cao, Run-Jie; Huang, Wei; Hao, Ge-Fei; Yang, Guang-Fu","An efficient one-pot access to N-(pyridin-2-ylmethyl) substituent biphenyl-4-sulfonamides through water-promoted, palladium-catalyzed, microwave-assisted reactions","RSC Adv.","2015","5","92","75182","","10.1039/C5RA13302E","","","0.71073","MoKα","","0.0549","0.0423","","","0.1213","0.1341","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222040","19.7074","0.0007","4.4839","0.0002","12.7541","0.0005","90","","107.994","0.002","90","","1071.9","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","","Borah, Suchibrata; Das, Bhrigu Phukan; Konwar, Gayatri; Mahanta, Sanjeev Pran; Gogoi, Nayanmoni","Phenolic oxime based receptors for selective detection of fluoride","RSC Adv.","2015","5","92","75187","","10.1039/C5RA15460J","","","0.71073","MoKα","","0.0711","0.06","","","0.1769","0.189","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222050","8.3168","0.0001","11.6769","0.0002","10.7135","0.0002","90","","90.696","0.001","90","","1040.36","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-butyl-2,3-methylimidazolium chloride","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C36 H68 Cl4 N8 -","4","1","","Nelyubina, Yu. V.; Korlyukov, A. A.; Lyssenko, K. A.","Invariom approach as a new tool in electron density studies of ionic liquids: a model case of 1-butyl-2,3-dimethylimidazolium chloride BDMIM[Cl]","RSC Adv.","2015","5","92","75360","","10.1039/C5RA13752G","","","0.71073","MoKα","","0.0663","0.036","","","0.0919","0.1188","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222100","9.9508","0.0003","19.0262","0.0006","19.3662","0.0006","90","","90","","90","","3666.5","0.2","100","2","100","2","","","","","","","Penthorum Chinese","3","P b c a","-P 2ac 2ab","61","Penchinone D","Penchinone D","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","He, Ya-Cong; Peng, Cheng; Xie, Xiao-Fang; Chen, Ming-Hua; Li, Xiao-Nian; Li, Meng-Ting; Zhou, Qin-Mei; Guo, Li; Xiong, Liang","Penchinones A–D, two pairs of cis-trans isomers with rearranged neolignane carbon skeletons from Penthorum chinense","RSC Adv.","2015","5","94","76788","","10.1039/C5RA15982B","","","1.54178","CuKα","","0.0389","0.0389","","","0.0999","0.0999","","","","","","1.123","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222103","14.7495","0.0009","15.5216","0.0008","19.1751","0.001","108.72","0.005","100.073","0.005","108.177","0.005","3761.1","0.4","100.2","0.8","100.2","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C39 H39 Br2 N5 O2 S -","- C39 H39 Br2 N5 O2 S -","- C156 H156 Br8 N20 O8 S4 -","4","2","","Said, Nur Rahimah; Rezayi, Majid; Narimani, Leila; Abdul Manan, Ninie Suhana; Alias, Yatimah","A novel potentiometric self-plasticizing polypyrrole sensor based on a bidentate bis-NHC ligand for determination of Hg(ii) cation","RSC Adv.","2015","5","93","76263","","10.1039/C5RA10950G","","","0.71073","MoKα","","0.161","0.0977","","","0.2737","0.314","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222129","6.3846","0.0013","16.788","0.004","7.9738","0.0016","90","","92.052","0.004","90","","854.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O8 -","- C16 H24 N O7 -","- C32 H48 N2 O14 -","2","1","","Yue, Yongkang; Huo, Fangjun; Yin, Caixia; Chao, Jianbin; Yongbin Zhang, Yongbin Zhang; Wei, Xing","An ICT based ultraselective and sensitive fluorescent probe for detection of HClO in living cells","RSC Adv.","2015","5","95","77670","","10.1039/C5RA16097A","","","0.71073","MoKα","","0.0378","0.0368","","","0.0964","0.0975","","","","","","1.07","","","","has coordinates","156317","2020-10-21","18:00:00",""
"7222171","7.5073","0.0003","19.2645","0.0009","7.5241","0.0004","90","","92.684","0.002","90","","1086.97","0.09","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 Se -","- C12 H12 N2 Se -","- C48 H48 N8 Se4 -","4","1","","Dhau, Jaspreet S.; Singh, Avtar; Singh, Amritpal; Sharma, Neha; Brandão, Paula; Félix, Vítor; Singh, Baljinder; Sharma, Vishal","A mechanistic study of the synthesis, single crystal X-ray data and anticarcinogenic potential of bis(2-pyridyl)selenides and -diselenides","RSC Adv.","2015","5","96","78669","","10.1039/C5RA15577K","","","0.71073","MoKα","","0.0481","0.0306","","","0.0583","0.064","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222257","4.7273","0.0006","13.5885","0.0016","20.003","0.003","90","","96.613","0.007","90","","1276.4","0.3","298","2","298","2","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","3a","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Islam, Kobirul; Sidick Basha, R.; Dar, Ajaz A.; Das, Deb K.; Khan, Abu T.","A direct approach for the expedient synthesis of unsymmetrical ethers by employing bromodimethylsulfonium bromide (BDMS) mediated C–S bond cleavage of naphthalene-2-ol sulfides","RSC Adv.","2015","5","97","79759","","10.1039/C5RA14563E","","x-ray","0.71073","MoKα","","0.0903","0.0458","","","0.1169","0.1452","","","","","","0.845","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222258","13.1085","0.0006","7.3865","0.0004","16.4008","0.0007","90","","107.548","0.003","90","","1514.12","0.13","298","2","298","2","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","2n","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Islam, Kobirul; Sidick Basha, R.; Dar, Ajaz A.; Das, Deb K.; Khan, Abu T.","A direct approach for the expedient synthesis of unsymmetrical ethers by employing bromodimethylsulfonium bromide (BDMS) mediated C–S bond cleavage of naphthalene-2-ol sulfides","RSC Adv.","2015","5","97","79759","","10.1039/C5RA14563E","","x-ray","0.71073","MoKα","","0.1849","0.0464","","","0.0871","0.117","","","","","","0.949","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222280","5.2504","0.0004","8.6355","0.0007","10.3202","0.0008","86.763","0.005","85.077","0.005","82.392","0.004","461.6","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 O6 P2 Sn -","- C12 H30 O6 P2 Sn -","- C12 H30 O6 P2 Sn -","1","0.5","","Shankar, Ravi; Asija, Meenal; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Shestakova, Pavletta","Growth modulation of bent micro crystals to single crystals in a one-dimensional coordination framework","RSC Adv.","2015","5","98","80501","","10.1039/C5RA14510D","","","0.71073","MoKα","","0.0612","0.041","","","0.0782","0.0844","","","","","","1.036","","","","has coordinates","158250","2020-10-21","18:00:00",""
"7222281","25.265","0.0013","14.1121","0.001","14.5519","0.0009","90","","92.961","0.005","90","","5181.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H21 N2 O6 -","- C31 H21 N2 O6 -","- C248 H168 N16 O48 -","8","1","","Alizadeh, Abdolali; Ghanbaripour, Rashid; Feizabadi, Masoumeh; Zhu, Long-Guan; Dusek, Michal","Synthesis of 3-[(coumarinyl)carbonyl]-3a,8b-dihyroindeno[1,2-b]pyrrole-4(1H)-ones and their conversion to coumarin bearing spiro[isobenzofuran-1,2′-pyrrole] moiety compounds via oxidative cleavage reaction","RSC Adv.","2015","5","98","80518","","10.1039/C5RA15405G","","","0.71073","MoKα","","0.1408","0.1076","","","0.2509","0.2682","","","","","","1.087","","","","has coordinates","158251","2020-10-21","18:00:00",""
"7222282","11.2256","0.0002","12.7218","0.0003","16.4454","0.0003","90","","103.055","0.002","90","","2287.86","0.08","120","0.1","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N O6 -","- C29 H19 N O6 -","- C116 H76 N4 O24 -","4","1","","Alizadeh, Abdolali; Ghanbaripour, Rashid; Feizabadi, Masoumeh; Zhu, Long-Guan; Dusek, Michal","Synthesis of 3-[(coumarinyl)carbonyl]-3a,8b-dihyroindeno[1,2-b]pyrrole-4(1H)-ones and their conversion to coumarin bearing spiro[isobenzofuran-1,2′-pyrrole] moiety compounds via oxidative cleavage reaction","RSC Adv.","2015","5","98","80518","","10.1039/C5RA15405G","","x-ray","1.54184","CuKα","","0.0384","0.0348","","","0.107","0.1104","","","","1.79","1.79","1.74","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222295","7.4145","0.0006","16.0955","0.0016","11.8314","0.001","90","","105.632","0.009","90","","1359.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide","N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","","Arshad, Muhammad Nadeem; Rahman, Mohammed M.; Asiri, Abdullah M.; Sobahi, Tariq R.; Yu, Shu-Hong","Development of Hg2+sensor based on N′-[1-(pyridin-2-yl)ethylidene]benzenesulfono-hydrazide (PEBSH) fabricated silver electrode for environmental remediation","RSC Adv.","2015","5","99","81275","","10.1039/C5RA09399F","","","0.71073","MoKα","","0.0735","0.0493","","","0.1193","0.1369","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222335","24.76","","24.76","","24.76","","90","","90","","90","","15179.3","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","Na54 (Al54 Si138 O384) (C F Cl3)12.87","","- C12.864 Al54.0096 Cl36.864 F12.864 Na47.808 O384 Si137.99 -","- C12.864 Al54.0096 Cl36.864 F12.864 Na47.808 O384 Si137.99 -","- C12.864 Al54.0096 Cl36.864 F12.864 Na47.808 O384 Si137.99 -","1","0.00520833","","Mellot-Draznieks, C.; Rodriguez-Carvajal, J.; Cox, D.E.; Cheetham, A.K.","Adsorption of chlorofluorocarbons in nanoporous solids: a combined powder neutron diffraction and computational study of C F Cl3 in NaY zeolite","Physical Chemistry Chemical Physics","2003","5","","1882","1887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222354","10.601","0.0017","17.872","0.003","21.185","0.004","90","","96.196","0.003","90","","3990.3","1.2","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 Cd3 N16 O26 S2 -","- C72 H84 Cd3 N16 O26 S2 -","- C144 H168 Cd6 N32 O52 S4 -","2","0.5","","Lian, Zhaoxun; Jiang, Kai; Lou, Tianjun","Structures and third-order nonlinear optical properties of two three-dimensional Cd(ii) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies","RSC Adv.","2015","5","101","82781","","10.1039/C5RA14734D","","x-ray","0.71073","MoKα","","0.0666","0.0416","","","0.0938","0.1185","","","","","","1.038","","","","has coordinates,has disorder","159056","2020-10-21","18:00:00",""
"7222355","37.955","0.01","10.455","0.005","24.091","0.005","90","","109.55","0.005","90","","9009","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H80 Cd3 N20 O17 S2 -","- C86 H80 Cd3 N20 O17 S2 -","- C344 H320 Cd12 N80 O68 S8 -","4","0.5","","Lian, Zhaoxun; Jiang, Kai; Lou, Tianjun","Structures and third-order nonlinear optical properties of two three-dimensional Cd(ii) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies","RSC Adv.","2015","5","101","82781","","10.1039/C5RA14734D","","","0.71069","MoKα","","0.117","0.0729","","","0.1934","0.2213","","","","","","1.059","","","","has coordinates,has disorder","159056","2020-10-21","18:00:00",""
"7222401","11.6184","0.0004","20.1448","0.0006","13.2501","0.0004","90","","102.093","0.001","90","","3032.37","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 B2 F8 N12 -","- C24 H24 Ag2 B2 F8 N12 -","- C96 H96 Ag8 B8 F32 N48 -","4","1","","Ding, Bin; Huo, Jian Zhong; Liu, Yuan Yuan; Wang, XiuGuang; Su, XiuMei; Wu, Xiang Xia; Zhu, Zhao Zhou; Xia, Jun","Triazole based Ag coordination clusters: synthesis, structural diversity and anion exchange properties","RSC Adv.","2015","5","101","83415","","10.1039/C5RA16908A","","","0.71073","MoKα","","0.0271","0.0227","","","0.0488","0.0506","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222402","6.482","0.002","8.871","0.003","12.896","0.004","79.298","0.007","84.228","0.007","86.626","0.006","724.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Ag F3 N4 O4 -","- C10 H12 Ag F3 N4 O4 -","- C20 H24 Ag2 F6 N8 O8 -","2","1","","Ding, Bin; Huo, Jian Zhong; Liu, Yuan Yuan; Wang, XiuGuang; Su, XiuMei; Wu, Xiang Xia; Zhu, Zhao Zhou; Xia, Jun","Triazole based Ag coordination clusters: synthesis, structural diversity and anion exchange properties","RSC Adv.","2015","5","101","83415","","10.1039/C5RA16908A","","","0.71073","MoKα","","0.0743","0.04","","","0.0773","0.0917","","","","","","1.03","","","","has coordinates,has disorder","159541","2020-10-21","18:00:00",""
"7222403","17.6545","0.0011","8.1711","0.0003","18.4625","0.0013","90","","118.187","0.009","90","","2347.5","0.3","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Ag2 B2 F8 N8 O -","- C16 H18 Ag2 B2 F8 N8 O -","- C64 H72 Ag8 B8 F32 N32 O4 -","4","0.5","","Ding, Bin; Huo, Jian Zhong; Liu, Yuan Yuan; Wang, XiuGuang; Su, XiuMei; Wu, Xiang Xia; Zhu, Zhao Zhou; Xia, Jun","Triazole based Ag coordination clusters: synthesis, structural diversity and anion exchange properties","RSC Adv.","2015","5","101","83415","","10.1039/C5RA16908A","","x-ray","1.54184","CuKα","","0.0404","0.0388","","","0.0994","0.1009","","","","","","1.059","","","","has coordinates","159541","2020-10-21","18:00:00",""
"7222416","11.5439","","3.5714","","4.3362","","90","","90","","90","","178.772","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","(V0.94 Mo0.06)2 O5","","- Mo0.12 O5 V1.88 -","- Mo0.12 O5 V1.88 -","- Mo0.24 O10 V3.76 -","2","0.25","","Haas, F.; Fuess, H.; Adams, A.H.; Schimanke, G.; Martin, M.; Buhrmester, T.","X-ray absorption and X-ray diffraction studies on molybdenum doped vanadium pentoxide","Physical Chemistry Chemical Physics","2003","5","","4317","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","159898","2020-10-21","18:00:00",""
"7222444","14.659","0.003","20.2","0.004","9.5832","0.0018","90","","100.056","0.004","90","","2794.1","1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl5 Co N2 O4 -","- C25 H26 Cl5 Co N2 O4 -","- C100 H104 Cl20 Co4 N8 O16 -","4","1","","Fu, Ling-Zhi; Zhou, Ling-Ling; Zhan, Shu-Zhong","A molecular cobalt catalyst supported by an amine-bis(phenolate) ligand for both electrolytic and photolytic water reduction","RSC Adv.","2015","5","103","84770","","10.1039/C5RA14753K","","","0.71073","MoKα","","0.0893","0.066","","","0.2023","0.2243","","","","","","1.072","","","","has coordinates","160603","2020-10-21","18:00:00",""
"7222455","18.882","0.002","3.9209","0.0005","20.007","0.002","90","","107.813","0.013","90","","1410.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O3 S2 -","- C13 H9 N3 O3 S2 -","- C52 H36 N12 O12 S8 -","4","1","","Alizadeh, Abdolali; Vahabi, Amir Hossein; Bazgir, Ayoob; Khavasi, Hamid Reza; Zhu, Zhe; Ng, Seik Weng","Highly mild approach towards synthesis of tetrasubstituted thiophenes by an organic salt afforded by cyclic thioureas and ketene dithioacetals","RSC Adv.","2015","5","103","85028","","10.1039/C5RA15544D","","","0.71073","MoKα","","0.0554","0.0406","","","0.1192","0.1409","","","","","","0.854","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222456","15.851","0.0016","10.6692","0.0005","13.4352","0.0012","90","","124.182","0.009","90","","1879.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N2 O S2 -","- C8 H8 N2 O S2 -","- C64 H64 N16 O8 S16 -","8","1","","Alizadeh, Abdolali; Vahabi, Amir Hossein; Bazgir, Ayoob; Khavasi, Hamid Reza; Zhu, Zhe; Ng, Seik Weng","Highly mild approach towards synthesis of tetrasubstituted thiophenes by an organic salt afforded by cyclic thioureas and ketene dithioacetals","RSC Adv.","2015","5","103","85028","","10.1039/C5RA15544D","","","0.71073","MoKα","","0.0421","0.0319","","","0.08","0.0887","","","","","","0.998","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222457","15.5299","0.0017","7.0738","0.0014","12.0531","0.0017","90","","90","","90","","1324.1","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H12 N4 S3 -","- C9 H12 N4 S3 -","- C36 H48 N16 S12 -","4","0.5","","Alizadeh, Abdolali; Vahabi, Amir Hossein; Bazgir, Ayoob; Khavasi, Hamid Reza; Zhu, Zhe; Ng, Seik Weng","Highly mild approach towards synthesis of tetrasubstituted thiophenes by an organic salt afforded by cyclic thioureas and ketene dithioacetals","RSC Adv.","2015","5","103","85028","","10.1039/C5RA15544D","","","0.71073","MoKα","","0.101","0.0542","","","0.0981","0.1106","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222831","7.3283","0.0004","9.6448","0.0006","13.9704","0.0008","83.013","0.005","81.025","0.005","79.065","0.005","953.31","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl2 N2 O4 -","- C18 H20 Cl2 N2 O4 -","- C36 H40 Cl4 N4 O8 -","2","1","","Singh, Shailja; Sharma, Kumkum; Awasthi, Satish K.","The interaction of (7-chloroquinolin-4-yl)-(2,5-dimethoxyphenyl)-amine hydrochloride dihydrate with serum albumin proteins, inputs from spectroscopic, molecular docking and X-ray diffraction studies","RSC Adv.","2015","5","104","85854","","10.1039/C5RA02815A","","","0.71073","MoKα","","0.0644","0.0554","","","0.1532","0.1592","","","","","","1.174","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7223116","9.9588","0.0006","11.4669","0.0007","47.914","0.003","90","","90","","90","","5471.6","0.6","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O8 -","- C28 H42 O8 -","- C224 H336 O64 -","8","2","","Devendar, Ponnam; Kumar, Arigari Niranjana; Bethu, M. S.; Zehra, Amtul; Pamanji, R.; Venkateswara Rao, J.; Tiwari, Ashok Kumar; Sridhar, Balasubramanian; Satya Srinivas, K. V. N.; Kumar, J. Kotesh","Highly selective one pot synthesis and biological evaluation of novel 3-(allyloxy)-propylidene acetals of some natural terpenoids","RSC Adv.","2015","5","113","93122","","10.1039/C5RA18517C","","","0.71073","MoKα","","0.1089","0.0834","","","0.1888","0.2049","","","","","","1.107","","","","has coordinates,has disorder","169944","2020-10-21","18:00:00",""
"7223157","9.556","0.0007","13.9607","0.001","19.49","0.0014","109.126","0.006","91.419","0.005","95.515","0.005","2440.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H38 Ag B Cl6 F4 N2 O P2 -","- C48 H38 Ag B Cl6 F4 N2 O P2 -","- C96 H76 Ag2 B2 Cl12 F8 N4 O2 P4 -","2","1","","Moudam, Omar; Tsipis, Athanassios C.; Kommanaboyina, Srikanth; Horton, Peter N.; Coles, Simon J.","First light-emitting electrochemical cell with [Ag(i)(N^N)(P^P)] type complex","RSC Adv.","2015","5","115","95047","","10.1039/C5RA12921D","","","0.71075","MoKα","","0.0553","0.0503","","","0.1334","0.1388","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223206","5.8376","0.0002","11.9174","0.0004","12.2331","0.0005","90","","94.745","0.004","90","","848.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O7 -","- C19 H21 N O7 -","- C38 H42 N2 O14 -","2","1","","Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C.","Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents","RSC Adv.","2015","5","116","96222","","10.1039/C5RA19192K","","","0.71073","MoKα","","0.045","0.0346","","","0.075","0.0776","","","","","","0.974","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223207","5.9539","0.0002","5.7856","0.0002","25.961","0.0011","90","","91.139","0.004","90","","894.1","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 O7 -","- C19 H19 N3 O7 -","- C38 H38 N6 O14 -","2","1","","Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C.","Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents","RSC Adv.","2015","5","116","96222","","10.1039/C5RA19192K","","x-ray","0.71073","MoKα","","0.0557","0.0417","","","0.0815","0.0978","","","","","","1.098","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223237","7.622","0.003","11.018","0.004","20.912","0.008","90","","90","","90","","1756.2","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Yang, Wenchao; Miao, Tao; Li, Pinhua; Wang, Lei","Regioselective synthesis of triazoles via base-promoted oxidative cycloaddition of chalcones with azides in aqueous solution","RSC Adv.","2015","5","116","95833","","10.1039/C5RA16974G","","","0.71073","MoKα","","0.0494","0.0369","","","0.0768","0.0832","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223320","8.8574","0.001","9.12","0.0014","12.0577","0.0016","90","","111.478","0.01","90","","906.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N6 -","- C22 H20 N6 -","- C44 H40 N12 -","2","0.5","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans–cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","MoKα","","0.0964","0.0628","","","0.1457","0.1659","","","","","","0.963","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223321","10.188","0.009","31.26","0.03","17.715","0.016","90","","105.279","0.015","90","","5442","9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cl13 Ir N8 -","- C48 H40 Cl13 Ir N8 -","- C192 H160 Cl52 Ir4 N32 -","4","1","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","MoKα","","0.1167","0.0678","","","0.1646","0.1988","","","","","","1.029","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223322","18.773","0.006","13.362","0.004","20.727","0.006","90","","99.386","0.006","90","","5130","3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H42 Cl2 F6 Ir N4 O2 P -","- C51 H42 Cl2 F6 Ir N4 O2 P -","- C204 H168 Cl8 F24 Ir4 N16 O8 P4 -","4","1","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","MoKα","","0.1464","0.0679","","","0.1428","0.1665","","","","","","0.914","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223323","12.3668","0.001","7.3332","0.0007","12.7466","0.0012","90","","113.958","0.011","90","","1056.37","0.19","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","0.5","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans–cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","x-ray","0.71073","MoKα","","0.068","0.0539","","","0.1484","0.162","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223324","15.991","0.012","13.426","0.01","22.927","0.017","90","","99.761","0.012","90","","4851","6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 F6 Ir N4 O2 P -","- C50 H40 F6 Ir N4 O2 P -","- C200 H160 F24 Ir4 N16 O8 P4 -","4","1","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","","","0.112489","0.070144","","","","0.189751","","","","","","0.971271","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223363","13.5191","0.001","5.4599","0.0004","18.3237","0.0014","90","","108.169","0.004","90","","1285.09","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 Ni O4 S2 -","- C26 H22 N4 Ni O4 S2 -","- C52 H44 N8 Ni2 O8 S4 -","2","0.5","","Raj Kumar, Ramasamy; Ramesh, Rengan","Synthesis, molecular structure and electrochemical properties of nickel(ii) benzhydrazone complexes: influence of ligand substitution on DNA/protein interaction, antioxidant activity and cytotoxicity","RSC Adv.","2015","5","123","101932","","10.1039/C5RA19530F","","","0.71073","MoKα","","0.1151","0.0545","","","0.1159","0.1512","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223394","14.695","0.0004","7.1251","0.0002","19.3703","0.0004","90","","108.558","0.003","90","","1922.68","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N Nd O11 -","- C18 H16 N Nd O11 -","- C72 H64 N4 Nd4 O44 -","4","1","","Qian, Wei; Wang, Jiaqi; Liu, Shudong; Guo, Shaohui; Lu, Yongjun; Lin, Hui; Zheng, De","A Nd-containing coordination ploymer: syntheses, crystal structure and application as a nucleating agent for isotactic polypropylene","RSC Adv.","2015","5","125","103123","","10.1039/C5RA20348A","","","0.71073","MoKα","","0.0275","0.0225","","","0.0489","0.0507","","","","","","1.047","","","","has coordinates","170652","2020-10-21","18:00:00",""
"7223395","10.042","0.002","17.602","0.004","18.655","0.004","90","","90","","90","","3297.4","1.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C168 H132 N20 O8 -","4","1","","Zhao, Hong-Wu; Chen, Xiao-Qin; Yang, Zhao; Tian, Ting; Li, Bo; Meng, Wei; Song, Xiu-Qing; Pang, Hai-Liang","Highly diastereoselective synthesis of imidazolidine-dispirooxindoles via three-component [3 + 2] cycloadditions of isatins, 2-(aminomethyl)pyridine and isatin-based imines","RSC Adv.","2015","5","125","103116","","10.1039/C5RA21995G","","","0.71073","MoKα","","0.0508","0.0458","","","0.1059","0.1092","","","","","","1.093","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223435","22.224","0.003","16.806","0.002","15.8146","0.0019","90","","113.877","0.006","90","","5401.2","1.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-amino-2,5-diisobutoxyamido)-3-isobutoxybenzoic acid","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C208 H288 N16 O48 -","8","1","","Rodriguez-Marin, Silvia; Murphy, Natasha S.; Shepherd, Helena J.; Wilson, Andrew J.","Design, synthesis and conformational analyses of bifacial benzamide based foldamers","RSC Adv.","2015","5","126","104187","","10.1039/C5RA20451H","","","0.71073","MoKα","","0.0601","0.0445","","","0.111","0.1195","","","","","","1.062","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223443","13.729","0.003","14.267","0.003","16.791","0.003","79.44","0.03","71.27","0.03","64.18","0.03","2800.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H116 La2 N16 O21 -","- C122 H116 La2 N16 O21 -","- C122 H116 La2 N16 O21 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1198","0.0726","","","0.1265","0.1525","","","","","","1.051","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223444","13.642","0.003","14.294","0.003","16.721","0.003","79.49","0.03","71.27","0.03","64.01","0.03","2772.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 N16 O22 Pr2 -","- C120 H114 N16 O22 Pr2 -","- C120 H114 N16 O22 Pr2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.0653","0.0534","","","0.1363","0.1458","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223445","13.549","0.004","14.302","0.004","16.74","0.005","79.802","0.004","71.163","0.004","64.19","0.004","2761.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 Eu2 N16 O22 -","- C120 H114 Eu2 N16 O22 -","- C120 H114 Eu2 N16 O22 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.086","0.0562","","","0.108","0.1232","","","","","","0.997","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223446","13.556","0.003","14.326","0.003","16.725","0.003","79.75","0.03","71.18","0.03","64.16","0.03","2764.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 Gd2 N16 O22 -","- C120 H114 Gd2 N16 O22 -","- C120 H114 Gd2 N16 O22 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1055","0.076","","","0.1748","0.1965","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223447","13.519","0.005","14.322","0.005","16.732","0.006","79.854","0.006","71.098","0.006","64.197","0.006","2757","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H112 N16 O21 Tb2 -","- C120 H112 N16 O21 Tb2 -","- C120 H112 N16 O21 Tb2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1103","0.0716","","","0.1644","0.1818","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223448","13.414","0.003","14.31","0.003","16.704","0.003","80.06","0.03","71.24","0.03","64.17","0.03","2730.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 N16 O22 Yb2 -","- C120 H114 N16 O22 Yb2 -","- C120 H114 N16 O22 Yb2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.0305","0.0264","","","0.0808","0.0893","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223449","11.7356","0.001","13.5161","0.0011","13.8113","0.0011","101.229","0.002","98.59","0.002","100.386","0.002","2074.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 N14 O14 Sm2 -","- C96 H80 N14 O14 Sm2 -","- C96 H80 N14 O14 Sm2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.0625","0.0498","","","0.106","0.1247","","","","","","1.035","","","","has coordinates,has disorder","171440","2020-10-21","18:00:00",""
"7223450","13.811","0.003","18.43","0.004","17.214","0.003","90","","106.47","0.03","90","","4201.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H88 Eu2 N10 O12 -","- C96 H88 Eu2 N10 O12 -","- C192 H176 Eu4 N20 O24 -","2","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.089","0.0485","","","0.0745","0.0833","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223451","13.766","0.003","18.43","0.004","17.19","0.003","90","","106.34","0.03","90","","4185.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H88 N10 O12 Tb2 -","- C96 H88 N10 O12 Tb2 -","- C192 H176 N20 O24 Tb4 -","2","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1035","0.0613","","","0.0912","0.1056","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223452","10.887","0.002","12.286","0.003","16.566","0.003","78.38","0.03","86.6","0.03","71.74","0.03","2061.1","0.8","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H88 N10 O12 Yb2 -","- C96 H88 N10 O12 Yb2 -","- C96 H88 N10 O12 Yb2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1734","0.1089","","","0.2245","0.2703","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223455","11.1067","0.0005","8.7283","0.0003","11.1168","0.0005","90","","113.959","0.002","90","","984.83","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","XEBOCA","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sousa, Carlos A. D.; Sampaio-Dias, Ivo E.; Rizzo-Aguiar, Fabio; Garcia-Mera, Xerardo; Rodríguez-Borges, José E.","Enantiopure synthesis of 7-(1-pyrindanyl)propargyl ethers as rasagiline analogues via chemical or enzymatic resolution of 1-pyrindan-7-ol","RSC Adv.","2015","5","126","104509","","10.1039/C5RA24868J","","x-ray","0.71073","MoKα","","0.0464","0.0386","","","0.09","0.094","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223474","7.012","0.004","7.844","0.004","12.691","0.008","81.83","0.04","85.86","0.04","82.76","0.03","684.4","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C32 H22 N6 O4 -","2","1","","Zhang, Yun-Hao; Wu, Ming-Yue; Huang, Wen-Cai","Silica gel-promoted practical synthesis of oxindole–nitrones from diazooxindoles and nitrosoarenes under solvent-free conditions","RSC Adv.","2015","5","128","105825","","10.1039/C5RA21874H","","","1.54187","CuKα","","","0.1344","","","","0.365","","","","","","2.22","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223486","12.474","0.003","6.1241","0.0017","19.93","0.006","90","","100.744","0.006","90","","1495.8","0.7","293","2","293","2","","","","","","","lithocholic acid","5","P 1 21 1","P 2yb","4","","MSW-167","","- C33 H45 Cl N2 O3 -","- C33 H45 Cl N2 O2.9 -","- C66 H90 Cl2 N4 O5.8 -","2","1","","Mao, Shi-Wei; Shuai, Lin; He, Hai-Bing; Pan, Na; Gao, Li-Xin; Yu, Li-Fang; Li, Jia; Li, Jing-Ya; Yang, Fan","Synthesis and biological evaluation of novel 2,3-pyrazole ring-substituted-4,4-dimethyl lithocholic acid derivatives as selective protein tyrosine phosphatase 1B (PTP1B) inhibitors with cellular efficacy","RSC Adv.","2015","5","129","106551","","10.1039/C5RA20238H","","","0.71073","MoKα","","0.115","0.0591","","","0.1311","0.1582","","","","","","0.915","","","","has coordinates,has disorder","171546","2020-10-21","18:00:00",""
"7223502","5.7508","0.0011","10.2102","0.0019","10.3282","0.0019","60.929","0.002","80.487","0.003","76.75","0.003","514.89","0.17","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3,3,9,9-tetramethyl-6-phenyl-3,4,8,9,10,12-hexahydro-1H-6,12-methanodibenzo[d,g][1,3]dioxocine-1,11(2H)-dione","","- C25 H28 O4 -","- C25 H28 O4 -","- C25 H28 O4 -","1","1","","Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes","RSC Adv.","2015","5","129","106860","","10.1039/C5RA23706H","","","0.71073","MoKα","","0.0406","0.0392","","","0.1066","0.1081","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223503","19.0793","0.0011","11.3954","0.0007","22.0551","0.0013","90","","98.763","0.001","90","","4739.2","0.5","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,2'-(3-(4-chlorophenyl)-3-oxopropane-1, 1-diyl) bis (3-hydroxy-5, 5-dimethylcyclohex-2-enone)","","- C25 H29 Cl O5 -","- C25 H29 Cl O5 -","- C200 H232 Cl8 O40 -","8","1","","Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes","RSC Adv.","2015","5","129","106860","","10.1039/C5RA23706H","","","0.71073","MoKα","","0.0521","0.0431","","","0.1191","0.1285","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223538","7.3328","0.0003","9.2003","0.0004","19.7779","0.0008","90","","90","","90","","1334.3","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-chloro-4-(4-methoxyphenyl)-1-methylindoline-2,3-dione","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C64 H48 Cl4 N4 O12 -","4","1","","Hamdy, Aws M.; Al-Masoudi, Najim A.; Pannecouque, Christophe; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Regioselective Suzuki–Miyaura reactions of 4,7-dichloro-N-methylisatin. Synthesis, anti-HIV activity and modeling study","RSC Adv.","2015","5","130","107360","","10.1039/C5RA16841D","","","0.71073","MoKα","","0.0481","0.0364","","","0.08","0.0864","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223539","3.8951","0.0006","24.185","0.003","13.5874","0.0017","90","","93.733","0.007","90","","1277.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-chloro-1-methyl-4-(4-tolyl)indoline-2,3-dione","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C64 H48 Cl4 N4 O8 -","4","1","","Hamdy, Aws M.; Al-Masoudi, Najim A.; Pannecouque, Christophe; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Regioselective Suzuki–Miyaura reactions of 4,7-dichloro-N-methylisatin. Synthesis, anti-HIV activity and modeling study","RSC Adv.","2015","5","130","107360","","10.1039/C5RA16841D","","","0.71073","MoKα","","0.1686","0.0684","","","0.1096","0.1404","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223565","16.6815","0.0017","21.985","0.002","17.129","0.002","90","","96.646","0.003","90","","6239.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 Cd3 N12 O18 -","- C58 H44 Cd3 N12 O18 -","- C232 H176 Cd12 N48 O72 -","4","0.5","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.0542","0.0482","","","0.1398","0.1452","","","","","","1.049","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223566","16.095","0.003","16.492","0.003","16.308","0.003","90","","118.02","0.005","90","","3821.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H30.5 Cd2 N6 O10.25 -","- C35 H28 Cd2 N6 O10.25 -","- C140 H112 Cd8 N24 O41 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.7107","MoKα","","0.0799","0.0658","","","0.1595","0.1686","","","","","","1.132","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223567","15.964","0.004","16.319","0.003","16.578","0.004","90","","118.02","0.004","90","","3812.6","1.5","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H24 Cd2 N8 O14 -","- C33 H22 Cd2 N8 O14 -","- C132 H88 Cd8 N32 O56 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.0789","0.0626","","","0.1492","0.1595","","","","","","1.093","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223568","24.5296","0.0006","19.2262","0.0006","16.5962","0.0004","90","","94.361","0.003","90","","7804.3","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H81 Cd4 Cl N18 O27 -","- C67 H79 Cd4 Cl N18 O27 -","- C268 H316 Cd16 Cl4 N72 O108 -","4","0.5","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","1.54184","CuKα","","0.0664","0.052","","","0.1423","0.1532","","","","","","1.05","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223569","14.877","0.003","16.998","0.003","16.095","0.003","90","","112.498","0.003","90","","3760.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Cd2 N6 O15 -","- C27 H34 Cd2 N6 O15 -","- C108 H136 Cd8 N24 O60 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.0506","0.0414","","","0.1354","0.1431","","","","","","1.047","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223570","10.4052","0.0014","12.1291","0.0015","16.213","0.002","84.763","0.006","83.142","0.005","89.783","0.006","2023","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H38 Cd2 N6 O12 -","- C37 H33 Cd2 N6 O12 -","- C74 H66 Cd4 N12 O24 -","2","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.7107","MoKα","","0.0807","0.0604","","","0.1603","0.1751","","","","","","1.087","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223571","9.6296","0.0015","12.867","0.0016","13.3979","0.0017","71.781","0.013","75.362","0.015","74.395","0.015","1492.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N6 O8 Zn -","- C33 H24 N6 O8 Zn -","- C66 H48 N12 O16 Zn2 -","2","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.7107","MoKα","","0.0937","0.065","","","0.1363","0.1515","","","","","","1.056","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223572","9.135","0.003","10.723","0.004","16.636","0.006","94.855","0.006","102.944","0.006","107.147","0.004","1497.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O7 Zn -","- C29 H32 N6 O7 Zn -","- C58 H64 N12 O14 Zn2 -","2","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.1147","0.0771","","","0.1453","0.1657","","","","","","1.014","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7228418","5.10555","0.00008","5.85403","0.00007","5.10587","0.00006","90","","110.039","0.001","90","","143.366","0.003","","","293","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","","","- Li3 O4 Ru -","- Li3 O4 Ru -","- Li6 O8 Ru2 -","2","0.5","","Bush, T. S.; Catlow, C. R. A.; Battle, P. D.","Evolutionary programming techniques for predicting inorganic crystal structures","Journal of Materials Chemistry","1995","5","","1269","1272","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.084","","","","","","","","has coordinates","197601","2020-10-21","18:00:00",""
"7229732","6.9587","0.0013","6.9587","0.0013","7.0832","0.0009","90","","90","","90","","342.99","0.1","300","","300","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","alpha-Na3PS4","- Na3 P S4 -","- Na3 P S4 -","- Na6 P2 S8 -","2","0.25","","Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo","The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4","Journal of Materials Chemistry A","2017","5","47","25025","","10.1039/C7TA08391B","powder diffraction","","0.70028","synchrotron","","","","","","","","","","","","","","","","","has coordinates","204276","2020-10-21","18:00:00",""
"7229733","7.06985","0.00004","7.06985","0.00004","7.06985","0.00004","90","","90","","90","","353.371","0.003","600","","600","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","beta-Na3PS4","- Na3 P S4 -","- Na3 P S4 -","- Na6 P2 S8 -","2","0.0416667","","Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo","The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4","Journal of Materials Chemistry A","2017","5","47","25025","","10.1039/C7TA08391B","powder diffraction","","0.70028","synchrotron","","","","","","","","","","","","","","","","","has coordinates","204277","2020-10-21","18:00:00",""
"7235141","56.337","0.008","5.7057","0.0009","36.189","0.005","90","","121.942","0.005","90","","9871","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 N O -","- C33 H25 N O -","- C528 H400 N16 O16 -","16","2","","Lili Wang; Yuanyuan Li; Xuejiao You; Kui Xu; Qi Feng; Jinmin Wang; Yuanyuan Liu; Kai Li; Hongwei Hou","An erasable photo-patterning material based on a specially designed 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone aggregation-induced emission (AIE) molecule","Journal of Materials Chemistry C","2017","5","","65","72","10.1039/C6TC03791G","","","1.54178","CuKα","","0.1181","0.1002","","","0.2446","0.2539","","","","","","1.078","","","","has coordinates","227884","2020-10-21","18:00:00",""
"7235144","5.624","0.007","11.351","0.014","7.744","0.009","90","","90","","90","","494.4","1","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Li O4 P Rb2 -","- Li O4 P Rb2 -","- Li4 O16 P4 Rb8 -","4","0.5","","Lin Li; Ying Wang; Bing-Hua Lei; Shujuan Han; Zhihua Yang; Hongyi Li; Shilie Pan","LiRb2PO4: a new deep-ultraviolet nonlinear optical phosphate with a large SHG response","Journal of Materials Chemistry C","2017","5","","269","274","10.1039/C6TC04565K","","","0.71073","MoKα","","0.0323","0.0304","","","0.0675","0.0679","","","","","","1.033","","","","has coordinates","230982","2020-10-21","18:00:00",""
"7235145","9.3497","0.0017","12.145","0.003","20.743","0.005","88.02","0.013","82.993","0.013","68.326","0.007","2172.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Co3(N3)2(V4O12)(tzmb)2(H2O)3].5H2O}n","","","- C24 H34 Co3 N18 O20 V4 -","- C24 H34 Co3 N18 O20 V4 -","- C48 H68 Co6 N36 O40 V8 -","2","1","","Rong Li; Yu Xiao; Shuai-Hua Wang; Xiao-Ming Jiang; Ying-Ying Tang; Jian-Gang Xu; Yong Yan; Fa-Kun Zheng; Guo-Cong Guo","A 3D metal-organic framework built from vanadate clusters and diamond chains showing weak ferromagnetic single-chain-magnet like behavior","Journal of Materials Chemistry C","2017","5","","513","517","10.1039/C6TC04099C","","","0.71073","MoKα","","0.0685","0.0517","","","0.1414","0.1489","","","","","","1.007","","","","has coordinates","230983","2020-10-21","18:00:00",""
"7235146","9.8767","0.0005","14.7211","0.0008","16.9215","0.0009","69.762","0.002","86.925","0.002","84.366","0.002","2296.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H45 Mn3 N4 O16 -","- C40 H45 Mn3 N4 O16 -","- C80 H90 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.0658","0.048","","","0.145","0.1741","","","","","","0.875","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235147","9.854","0.0003","12.8734","0.0004","16.6711","0.0006","74.88","0.002","88.827","0.001","87.055","0.002","2038.84","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 F6 Mn3 N4 O16 -","- C36 H34 F6 Mn3 N4 O16 -","- C72 H68 F12 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.0765","0.0629","","","0.1654","0.1763","","","","","","1.074","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235148","9.9485","0.0003","15.3562","0.0005","15.7178","0.0005","71.627","0.001","85.423","0.001","83.995","0.001","2263.53","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H33 Cl6 Mn3 N4 O16 -","- C36 H33 Cl6 Mn3 N4 O16 -","- C72 H66 Cl12 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.116","0.0933","","","0.2667","0.2958","","","","","","1.201","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235149","9.9807","0.001","15.3744","0.0017","15.5563","0.0017","71.72","0.003","85.721","0.004","84.763","0.004","2254.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H6 Br6 Mn3 N4 O16 -","- C36 H6 Br6 Mn3 N4 O16 -","- C72 H12 Br12 Mn6 N8 O32 -","2","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1996","0.1386","","","0.335","0.3787","","","","","","1.316","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235150","9.8696","0.0006","18.0782","0.0012","27.2802","0.0017","90","","90","","90","","4867.5","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Mn1.5 N3 O12 -","- C15 H13 Mn1.5 N3 O12 -","- C120 H104 Mn12 N24 O96 -","8","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1844","0.1388","","","0.4009","0.4281","","","","","","1.585","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235151","15.534","0.0003","9.9019","0.0002","16.3563","0.0003","90","","111.126","0.001","90","","2346.77","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H7 Mn1.5 N2 O11 -","- C18 H7 Mn1.5 N2 O11 -","- C72 H28 Mn6 N8 O44 -","4","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1249","0.0868","","","0.2645","0.3037","","","","","","1.148","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235152","13.4214","0.0012","10.026","0.0009","16.6604","0.0014","90","","106.733","0.004","90","","2146.9","0.3","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H18.5 Mn1.5 N2.5 O7 -","- C16.5 H18.5 Mn1.5 N2.5 O7 -","- C66 H74 Mn6 N10 O28 -","4","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1598","0.1269","","","0.3459","0.379","","","","","","1.514","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235153","11.7048","0.0002","7.8063","0.0002","13.3837","0.0003","90","","98.5108","0.0008","90","","1209.42","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 S4 -","- C26 H32 S4 -","- C52 H64 S8 -","2","0.5","","Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno","The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes","Journal of Materials Chemistry C","2017","5","","582","588","10.1039/C6TC04612F","","","0.71073","MoKα","","0.0544","0.0417","","","0.1042","0.112","","","","","","1.105","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235154","5.7171","0.0003","8.601","0.0006","13.2287","0.0008","87.647","0.005","77.952","0.004","82.023","0.004","629.96","0.07","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C28 H16 S8 -","2","1","","Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno","The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes","Journal of Materials Chemistry C","2017","5","","582","588","10.1039/C6TC04612F","","","1.54178","CuKα","","0.0549","0.0475","","","0.1381","0.1441","","","","","","1.16","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235155","5.2285","0.0003","21.9986","0.0015","22.2284","0.0014","110.465","0.004","94.335","0.004","93.072","0.004","2379.7","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H62 S8 -","- C52 H62 S8 -","- C104 H124 S16 -","2","1","","Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno","The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes","Journal of Materials Chemistry C","2017","5","","582","588","10.1039/C6TC04612F","","","1.54178","CuKα","","0.1183","0.0925","","","0.2147","0.234","","","","","","1.072","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235156","15.8948","0.0012","6.673","0.0006","15.6759","0.0019","90","","100.464","0.009","90","","1635","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Fe O4 -","- C21 H14 Fe O4 -","- C84 H56 Fe4 O16 -","4","1","","Priya Singla; Nick Van Steerteghem; Navdeep Kaur; A. Z. Ashar; Paramjit Kaur; Koen Clays; K. S. Narayan; Kamaljit Singh","Multifunctional geometrical isomers of ferrocene-benzo[1,2-b:4,5-b']difuran-2,6-(3H,7H)-dione adducts: second-order nonlinear optical behaviour and charge transport in thin film OFET devices","Journal of Materials Chemistry C","2017","5","","697","708","10.1039/C6TC03876J","","","0.71073","MoKα","","0.1425","0.097","","","0.2277","0.2883","","","","","","1.15","","","","has coordinates","230986","2020-10-21","18:00:00",""
"7235157","10.711","0.0009","11.456","0.0011","12.5503","0.0014","64.979","0.01","78.462","0.008","70.71","0.008","1313.8","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Fe2 O4 -","- C32 H22 Fe2 O4 -","- C64 H44 Fe4 O8 -","2","1","","Priya Singla; Nick Van Steerteghem; Navdeep Kaur; A. Z. Ashar; Paramjit Kaur; Koen Clays; K. S. Narayan; Kamaljit Singh","Multifunctional geometrical isomers of ferrocene-benzo[1,2-b:4,5-b']difuran-2,6-(3H,7H)-dione adducts: second-order nonlinear optical behaviour and charge transport in thin film OFET devices","Journal of Materials Chemistry C","2017","5","","697","708","10.1039/C6TC03876J","","","0.71073","MoKα","","0.0655","0.0524","","","0.1341","0.1474","","","","","","1.03","","","","has coordinates","230986","2020-10-21","18:00:00",""
"7235158","20.943","0.011","4.6447","0.0017","14.264","0.007","90","","109.415","0.017","90","","1308.6","1.1","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N?-Bis(4-Trifluoromethylthiobenzyl)naphthalene-1,4,5,8-tetracarboxylic acid diimide (NTCDI‒BSCF3)","","- C H F N O S -","- C4 H2.13333 F0.8 N0.266667 O0.533333 S0.266667 -","- C60 H32 F12 N4 O8 S4 -","15","3.75","","Liang Zhao; Dongwei Zhang; Yanan Zhu; Sen Peng; Hong Meng; Wei Huang","Effects of a highly lipophilic substituent on the environmental stability of naphthalene tetracarboxylic diimide-based n-channel thin-film transistors","Journal of Materials Chemistry C","2017","5","","848","853","10.1039/C6TC04323B","","","0.71073","MoKα","","0.0961","0.0771","","","0.212","0.2975","","","","","","1.033","","","","has coordinates","230987","2020-10-21","18:00:00",""
"7235159","9.7867","0.0006","11.6737","0.0007","12.7066","0.0009","107.28","0.002","96.692","0.002","96.036","0.002","1361.69","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 O2 S2 -","- C34 H28 O2 S2 -","- C68 H56 O4 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1235","0.0648","","","0.1171","0.1396","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235160","10.9441","0.0008","11.8177","0.001","14.1721","0.0011","106.966","0.003","92.284","0.002","117.261","0.002","1525.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H16 F12 O2 S2 -","- C33.999 H16 F11.997 O2 S2 -","- C67.998 H32 F23.994 O4 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1611","0.0772","","","0.1463","0.1807","","","","","","1.066","","","","has coordinates,has disorder","230988","2020-10-21","18:00:00",""
"7235161","10.762","0.001","11.2068","0.0009","14.2221","0.0014","71.665","0.003","85.795","0.004","64.61","0.003","1467.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 F12 S2 -","- C34.001 H16 F12.003 S2 -","- C68.002 H32 F24.006 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1189","0.0554","","","0.0882","0.1059","","","","","","1.068","","","","has coordinates,has disorder","230988","2020-10-21","18:00:00",""
"7235162","9.5645","0.0005","11.451","0.0006","12.9056","0.0008","97.617","0.002","101.071","0.002","105.401","0.002","1311.94","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C68 H56 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1126","0.0595","","","0.1069","0.1276","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235163","6.2997","0.0008","14.4057","0.0018","12.7959","0.0017","90","","97.634","0.006","90","","1151","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 F4 S2 -","- C30 H16 F4 S2 -","- C60 H32 F8 S4 -","2","0.5","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.0839","0.0477","","","0.0971","0.1095","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235164","6.163","0.0013","12.311","0.003","15.334","0.004","90","","101.21","0.007","90","","1141.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 O2 S2 -","- C30 H20 O2 S2 -","- C60 H40 O4 S4 -","2","0.5","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.1097","0.0457","","","0.0731","0.086","","","","","","1.022","","","","has coordinates,has disorder","230988","2020-10-21","18:00:00",""
"7235165","9.75","0.002","10.415","0.002","12.252","0.003","104.173","0.007","102.316","0.007","98.648","0.007","1151.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 O2 S2 -","- C30 H20 O2 S2 -","- C60 H40 O4 S4 -","2","1","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.111","0.0486","","","0.0882","0.1042","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235166","17.1486","0.0008","10.1102","0.0008","14.1478","0.0008","90","","102.148","0.003","90","","2398","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 F4 O2 S2 -","- C30 H16 F4 O2 S2 -","- C120 H64 F16 O8 S8 -","4","0.5","","Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide","Journal of Materials Chemistry C","2017","5","","960","968","10.1039/C6TC05116B","","","0.71073","MoKα","","0.0871","0.0621","","","0.1661","0.1801","","","","","","1.097","","","","has coordinates","230988","2020-10-21","18:00:00",""
"7235167","18.373","0.009","11.523","0.006","11.034","0.005","90","","94.251","0.009","90","","2330","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Co3 N6 O10 -","- C14 H8 Co3 N6 O10 -","- C56 H32 Co12 N24 O40 -","4","0.5","","Chengfang Qiao; Lin Sun; Sheng Zhang; Ping Liu; Liangliang Chang; Chunsheng Zhou; Qing Wei; Sanping Chen; Shengli Gao","Pore-size-tuned host-guest interactions in Co-MOFs via in situ microcalorimetry: adsorption and magnetism","Journal of Materials Chemistry C","2017","5","","1064","1073","10.1039/C6TC05082D","","","0.71073","MoKα","","0.1011","0.0794","","","0.2521","0.2833","","","","","","1.062","","","","has coordinates","230989","2020-10-21","18:00:00",""
"7235168","17.518","0.009","13.309","0.009","11.181","0.006","90","","95.873","0.015","90","","2593","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Co3 N8 O8 -","- C20 H22 Co3 N8 O8 -","- C80 H88 Co12 N32 O32 -","4","0.5","","Chengfang Qiao; Lin Sun; Sheng Zhang; Ping Liu; Liangliang Chang; Chunsheng Zhou; Qing Wei; Sanping Chen; Shengli Gao","Pore-size-tuned host-guest interactions in Co-MOFs via in situ microcalorimetry: adsorption and magnetism","Journal of Materials Chemistry C","2017","5","","1064","1073","10.1039/C6TC05082D","","","0.71073","MoKα","","0.1488","0.0971","","","0.2432","0.2718","","","","","","1.021","","","","has coordinates","230989","2020-10-21","18:00:00",""
"7235169","18.28","0.003","11.9163","0.0018","11.0923","0.0017","90","","94.04","0.002","90","","2410.2","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Co3 N6 O7 -","- C16 H8 Co3 N6 O7 -","- C64 H32 Co12 N24 O28 -","4","0.5","","Chengfang Qiao; Lin Sun; Sheng Zhang; Ping Liu; Liangliang Chang; Chunsheng Zhou; Qing Wei; Sanping Chen; Shengli Gao","Pore-size-tuned host-guest interactions in Co-MOFs via in situ microcalorimetry: adsorption and magnetism","Journal of Materials Chemistry C","2017","5","","1064","1073","10.1039/C6TC05082D","","","0.71073","MoKα","","0.0704","0.0555","","","0.1688","0.1819","","","","","","1.054","","","","has coordinates","230989","2020-10-21","18:00:00",""
"7235170","7.4917","0.0007","12.6697","0.0014","17.4733","0.0016","81.367","0.008","85.995","0.008","80.27","0.009","1614.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C74 H96 Si4 -","- C74 H96 Si4 -","- C74 H96 Si4 -","1","0.5","","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","","0.1297","0.0948","","","0.2378","0.2827","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:29",""
"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",""
"7235173","26.456","0.009","7.923","0.002","17.551","0.007","90","","120.844","0.007","90","","3158.6","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N4 S -","- C36.08 H29.92 N4.08 S1.04 -","- C144.32 H119.68 N16.32 S4.16 -","4","0.5","","Fan Ni; Zhongbin Wu; Zece Zhu; Tianheng Chen; Kailong Wu; Cheng Zhong; Kebin An; Danqing Wei; Dongge Ma; Chuluo Yang","Teaching an old acceptor new tricks: rationally employing 2,1,3-benzothiadiazole as input to design a highly efficient red thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2017","5","","1363","1368","10.1039/C7TC00025A","","","0.71073","MoKα","","0.0818","0.069","","","0.249","0.2601","","","","","","1.116","","","","has coordinates,has disorder","231031","2020-10-21","18:00:00",""
"7235174","26.791","0.004","26.791","0.004","10.119","0.002","90","","90","","120","","6289.9","1.8","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C41.33 H25.67 Dy F12 N2 O6.33 -","- C41.32 H25.64 Dy F12 N2 O6.33 -","- C247.92 H153.84 Dy6 F72 N12 O37.98 -","6","1","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.1382","0.0652","","","0.1243","0.1415","","","","","","1.022","","","","has coordinates,has disorder","231032","2020-10-21","18:00:00",""
"7235175","12.429","0.003","17.651","0.004","21.655","0.005","87.902","0.005","74.279","0.005","71.393","0.004","4327.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H32 Dy F9 N2 O6 -","- C43 H32 Dy F9 N2 O6 -","- C172 H128 Dy4 F36 N8 O24 -","4","2","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.1032","0.1225","","","0.2068","0.2561","","","","","","1.099","","","","has coordinates","231032","2020-10-21","18:00:00",""
"7235176","10.816","0.0011","10.9937","0.0011","18.5997","0.0018","80.054","0.002","86.565","0.002","84.476","0.002","2166.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 Dy F9 N2 O7 -","- C45 H36 Dy F9 N2 O7 -","- C90 H72 Dy2 F18 N4 O14 -","2","1","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.04","0.0359","","","0.1052","0.115","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235177","10.273","0.002","13.625","0.003","15.204","0.003","83.405","0.004","87.777","0.004","76.586","0.004","2056.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H23 Dy F12 N2 O6 -","- C42 H23 Dy F12 N2 O6 -","- C84 H46 Dy2 F24 N4 O12 -","2","1","","Sheng Zhang; Haipeng Wu; Lin Sun; Hongshan Ke; Sanping Chen; Bing Yin; Qing Wei; Desuo Yang; Shengli Gao","Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations","Journal of Materials Chemistry C","2017","5","","1369","1382","10.1039/C6TC05188J","","","0.71073","MoKα","","0.1739","0.0637","","","0.1391","0.1905","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235178","13.0433","0.0008","7.4359","0.0004","19.8943","0.0012","90","","96.61","0.001","90","","1916.7","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F6 N7 Pt -","- C18 H13 F6 N7 Pt -","- C72 H52 F24 N28 Pt4 -","4","1","","Chung-Hao Tseng; Mark A. Fox; Jia-Ling Liao; Chia-Hao Ku; Zong-Ting Sie; Chih-Hao Chang; Jin-Yun Wang; Zhong-Ning Chen; Gene-Hsiang Lee; Yun Chi","Luminescent Pt(ii) complexes featuring imidazolylidene-pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications","Journal of Materials Chemistry C","2017","5","","1420","1435","10.1039/C6TC05154E","","","0.71073","MoKα","","0.0419","0.0331","","","0.0755","0.0794","","","","","","1.049","","","","has coordinates,has disorder","231033","2020-10-21","18:00:00",""
"7235179","21.8036","0.0014","6.7963","0.0004","13.7863","0.0009","90","","90","","90","","2042.9","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H15 F6 N7 Pt -","- C19 H15 F6 N7 Pt -","- C76 H60 F24 N28 Pt4 -","4","0.5","","Chung-Hao Tseng; Mark A. Fox; Jia-Ling Liao; Chia-Hao Ku; Zong-Ting Sie; Chih-Hao Chang; Jin-Yun Wang; Zhong-Ning Chen; Gene-Hsiang Lee; Yun Chi","Luminescent Pt(ii) complexes featuring imidazolylidene-pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications","Journal of Materials Chemistry C","2017","5","","1420","1435","10.1039/C6TC05154E","","","0.71073","MoKα","","0.026","0.0221","","","0.0502","0.0517","","","","","","1.051","","","","has coordinates,has disorder","231033","2020-10-21","18:00:00",""
"7235180","12.2448","0.0006","15.2481","0.0008","16.3269","0.0008","72.0438","0.001","69.328","0.001","68.7506","0.0009","2600.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 F12 N14 O3 Pt2 -","- C46 H50 F12 N14 O3 Pt2 -","- C92 H100 F24 N28 O6 Pt4 -","2","1","","Chung-Hao Tseng; Mark A. Fox; Jia-Ling Liao; Chia-Hao Ku; Zong-Ting Sie; Chih-Hao Chang; Jin-Yun Wang; Zhong-Ning Chen; Gene-Hsiang Lee; Yun Chi","Luminescent Pt(ii) complexes featuring imidazolylidene-pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications","Journal of Materials Chemistry C","2017","5","","1420","1435","10.1039/C6TC05154E","","","0.71073","MoKα","","0.045","0.0347","","","0.079","0.0836","","","","","","1.044","","","","has coordinates,has disorder","231033","2020-10-21","18:00:00",""
"7235181","22.298","0.0009","12.8948","0.0005","16.2166","0.0006","90","","131.727","0.0013","90","","3479.9","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H31 B F N3 -","- C47 H31 B F N3 -","- C188 H124 B4 F4 N12 -","4","1","","Yi-Jiun Shiu; Yi-Ting Chen; Wei-Kai Lee; Chung-Chih Wu; Tzu-Chieh Lin; Shih-Hung Liu; Pi-Tai Chou; Chin-Wei Lu; I-Chen Cheng; Yi-Jyun Lien; Yun Chi","Efficient thermally activated delayed fluorescence of functional phenylpyridinato boron complexes and high performance organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","","1452","1462","10.1039/C6TC04994J","","","1.54178","CuKα","","0.0507","0.0481","","","0.135","0.1381","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235182","9.7399","0.0005","13.7142","0.0008","14.6944","0.0008","101.835","0.003","95.538","0.002","110.288","0.002","1771.61","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 B F N3 -","- C47 H35 B F N3 -","- C94 H70 B2 F2 N6 -","2","1","","Yi-Jiun Shiu; Yi-Ting Chen; Wei-Kai Lee; Chung-Chih Wu; Tzu-Chieh Lin; Shih-Hung Liu; Pi-Tai Chou; Chin-Wei Lu; I-Chen Cheng; Yi-Jyun Lien; Yun Chi","Efficient thermally activated delayed fluorescence of functional phenylpyridinato boron complexes and high performance organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","","1452","1462","10.1039/C6TC04994J","","","0.71073","MoKα","","0.0697","0.0515","","","0.1291","0.1399","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235183","9.6285","0.0003","9.8729","0.0003","10.6722","0.0004","99.852","0.002","96.899","0.002","116.498","0.002","872.06","0.05","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H26 N12 Zn2 -","- C42 H26 N12 Zn2 -","- C42 H26 N12 Zn2 -","1","1","","Shruti Mendiratta; Muhammad Usman; Chun-Chi Chang; Yung-Chi Lee; Jenq-Wei Chen; Maw-Kuen Wu; Ying-Chih Lin; Chao-Ping Hsu; Kuang-Lieh Lu","Zn(ii)-based metal-organic framework: an exceptionally thermally stable, guest-free low dielectric material","Journal of Materials Chemistry C","2017","5","","1508","1513","10.1039/C6TC05314A","","","0.71073","MoKα","","0.0679","0.0532","","","0.133","0.1619","","","","","","1.029","","","","has coordinates","231035","2020-10-21","18:00:00",""
"7235184","10.098","0.002","12.156","0.002","17.119","0.003","90","","96.32","0.03","90","","2088.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Mn N9 P -","- C15 H20 Mn N9 P -","- C60 H80 Mn4 N36 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.0615","0.0484","","","0.1234","0.1319","","","","","","1.02","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235185","10.391","0.013","15.81","0.02","15.482","0.015","90","","127.56","0.019","90","","2016","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Mn N9 O P -","- C14 H20 Mn N9 O P -","- C56 H80 Mn4 N36 O4 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.1575","0.1343","","","0.317","0.3438","","","","","","1.131","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235186","10.496","0.002","12.396","0.003","16.254","0.003","90","","90","","90","","2114.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Mn N9 P -","- C15 H22 Mn N9 P -","- C60 H88 Mn4 N36 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.0819","0.0552","","","0.125","0.1376","","","","","","1.04","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235187","10.694","0.002","12.092","0.002","16.108","0.003","90","","90","","90","","2083","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Mn N9 O P -","- C14 H20 Mn N9 O P -","- C56 H80 Mn4 N36 O4 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.1024","0.0601","","","0.1338","0.1537","","","","","","1.03","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235188","19.1998","0.0012","19.1998","0.0012","37.747","0.002","90","","90","","120","","12050.5","1.2","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C11 H0 N2 O5 S Zn -","- C11 H3 N O5 S0.5 Zn -","- C198 H54 N18 O90 S9 Zn18 -","18","0.5","","Dian Zhao; Dan Yue; Ke Jiang; Yuanjing Cui; Qi Zhang; Yu Yang; Guodong Qian","Ratiometric dual-emitting MOF dye thermometers with a tunable operating range and sensitivity","Journal of Materials Chemistry C","2017","5","","1607","1613","10.1039/C6TC05203G","","","0.71073","MoKα","","0.1735","0.0811","","","0.2273","0.306","","","","","","1.012","","","","has coordinates","231037","2020-10-21","18:00:00",""
"7235189","9.435","0.006","12.771","0.008","7.237","0.005","90","","93.021","0.009","90","","870.8","1","296","2","296.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C22 H10 N4 S -","- C22 H8 N4 S -","- C44 H16 N8 S2 -","2","0.25","","Xiaoyu Fang; Xiaogang Yang; Dongpeng Yan","Vapor-phase pi-pi molecular recognition: a fast and solvent-free strategy towards the formation of co-crystalline hollow microtube with 1D optical waveguide and up-conversion emission","Journal of Materials Chemistry C","2017","5","","1632","1637","10.1039/C6TC05048D","","","0.71073","MOKα","","0.0659","0.0596","","","0.1679","0.1756","","","","","","1.019","","","","has coordinates","231038","2020-10-21","18:00:00",""
"7235190","9.2282","0.0003","10.7038","0.0003","25.8222","0.0008","90","","90","","90","","2550.63","0.14","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Acetonitrile)-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper tetrafluoroborate","","- C24 H35 B Cu F4 N5 -","- C24 H35 B Cu F4 N5 -","- C96 H140 B4 Cu4 F16 N20 -","4","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0199","0.0195","","","0.0508","0.051","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235191","10.3221","0.0008","12.5539","0.0011","13.3412","0.0009","96.242","0.006","97.713","0.006","111.66","0.008","1568.5","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(Acetonitrile)-(diethyl 3,3'-(3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene-3,11-diyl)dipropionate)-copper hexafluorophosphate acetonitrile solvate","","- C28 H38 Cu F6 N6 O4 P -","- C27.996 H37.991 Cu F6 N6 O3.998 P -","- C55.992 H75.982 Cu2 F12 N12 O7.996 P2 -","2","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0501","0.0435","","","0.1171","0.1219","","","","","","1.059","","","","has coordinates,has disorder","231040","2020-10-21","18:00:00",""
"7235192","18.0389","0.0004","10.7179","0.0003","23.219","0.0006","90","","95.19","0.002","90","","4470.7","0.2","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Iodo-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper","","- C22 H32 Cu I N4 -","- C22 H32 Cu I N4 -","- C176 H256 Cu8 I8 N32 -","8","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0218","0.0202","","","0.0495","0.0502","","","","","","1.055","","","","has coordinates","231041","2020-10-21","18:00:00",""
"7235193","9.8894","0.0003","11.0273","0.0003","12.5448","0.0003","76.939","0.002","71.011","0.002","82.147","0.002","1257.18","0.06","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","Iodo-(diethyl 3,3'-(3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene-3,11-diyl)dipropionate)-copper","","- C24 H32 Cu I N4 O4 -","- C24 H32 Cu I N4 O4 -","- C48 H64 Cu2 I2 N8 O8 -","2","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0226","0.021","","","0.0513","0.052","","","","","","1.041","","","","has coordinates","231042","2020-10-21","18:00:00",""
"7235194","9.21714","0.00018","11.1644","0.0002","25.851","0.0006","90","","90","","90","","2660.17","0.09","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Acetonitrile)-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper hexafluorophosphate","","- C24 H35 Cu F6 N5 P -","- C24 H35 Cu F6 N5 P -","- C96 H140 Cu4 F24 N20 P4 -","4","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0249","0.0244","","","0.0631","0.0634","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235195","20.8422","0.0005","22.3058","0.0005","11.2544","0.0003","90","","94.493","0.003","90","","5216.1","0.2","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,3'-(3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene-3,11-diyl)bis(propan-1-ol))-copper hexafluorophosphate","","- C22 H31 Cu F6 N5 O2 P -","- C22.0005 H31.0025 Cu F6 N5 O2.0005 P -","- C176.004 H248.02 Cu8 F48 N40 O16.004 P8 -","8","2","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0414","0.0356","","","0.088","0.0909","","","","","","1.03","","","","has coordinates,has disorder","231044","2020-10-21","18:00:00",""
"7235196","12.58365","0.00019","17.6541","0.0003","18.0319","0.0003","79.3917","0.0014","84.4139","0.0013","87.624","0.0013","3917.54","0.11","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(mu-iodo)-bis((3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C76 H76 B Cu2 F24 I N8 -","- C76 H76 B Cu2 F24 I N8 -","- C152 H152 B2 Cu4 F48 I2 N16 -","2","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0282","0.0238","","","0.0572","0.0589","","","","","","1.032","","","","has coordinates,has disorder","231045","2020-10-21","18:00:00",""
"7235197","13.381","0.006","13.771","0.007","15.248","0.007","105.045","0.009","101.432","0.009","113.389","0.008","2342.2","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","k151004","m-Ir-(dbfmi)3","","- C48 H33 Ir N6 O3 -","- C48 H33 Ir N6 O3 -","- C96 H66 Ir2 N12 O6 -","2","1","","Yang-Jin Cho; So-Yoen Kim; Jin-Hyoung Kim; Jiwon Lee; Dae Won Cho; Seungjun Yi; Ho-Jin Son; Won-Sik Han; Sang Ook Kang","Probing photophysical properties of isomeric N-heterocyclic carbene Ir(iii) complexes and their applications to deep-blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","","1651","1659","10.1039/C6TC04757B","","","0.71073","MoKα","","0.0559","0.036","","","0.1032","0.107","","","","","","0.944","","","","has coordinates","231046","2020-10-21","18:00:00",""
"7235198","6.9356","0.0005","11.2669","0.0009","12.5929","0.0013","69.417","0.008","88.074","0.007","78.462","0.006","901.89","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H48 B2 -","- C46 H48 B2 -","- C46 H48 B2 -","1","0.5","","Sandra Schraff; Yu Sun; Frank Pammer","Tuning of electronic properties via labile N->B-coordination in conjugated organoboranes","Journal of Materials Chemistry C","2017","5","","1730","1741","10.1039/C6TC05418H","","","0.71073","MoKα","","0.0667","0.0509","","","0.1188","0.1307","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235199","13.9954","0.0007","14.3264","0.0006","14.494","0.0007","69.831","0.004","78.92","0.004","85.791","0.004","2677","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H63 B2 Cl N6 -","- C60.5 H63 B2 Cl N6 -","- C121 H126 B4 Cl2 N12 -","2","1","","Sandra Schraff; Yu Sun; Frank Pammer","Tuning of electronic properties via labile N->B-coordination in conjugated organoboranes","Journal of Materials Chemistry C","2017","5","","1730","1741","10.1039/C6TC05418H","","","1.54184","CuKα","","0.0837","0.0637","","","0.1873","0.1969","","","","","","1.106","","","","has coordinates","231047","2020-10-21","18:00:00",""
"7235200","17.021","0.0003","19.9533","0.0003","15.874","0.0003","90","","96.235","0.002","90","","5359.32","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 Cl3 Eu N7 O2 -","- C55 H57 Cl3 Eu N7 O2 -","- C220 H228 Cl12 Eu4 N28 O8 -","4","1","","Wei-Xu Feng; Shao-Yun Yin; Mei Pan; Hai-Ping Wang; Ya-Nan Fan; Xing-Qiang Lu; Cheng-Yong Su","PMMA-copolymerized color tunable and pure white-light emitting Eu3±Tb3+ containing Ln-metallopolymers","Journal of Materials Chemistry C","2017","5","","1742","1750","10.1039/C6TC04851J","","","0.71073","MoKα","","0.0918","0.0751","","","0.2076","0.2224","","","","","","1.069","","","","has coordinates","231049","2020-10-21","18:00:00",""
"7235201","8.8585","0.0005","11.291","0.0006","12.4815","0.0008","92.334","0.005","92.13","0.005","104.326","0.005","1207.15","0.12","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 O P -","- C30 H27 O P -","- C60 H54 O2 P2 -","2","1","","Zeyan Zhuang; Fan Bu; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Steric, conjugation and electronic impacts on the photoluminescence and electroluminescence properties of luminogens based on phosphindole oxide","Journal of Materials Chemistry C","2017","5","","1836","1842","10.1039/C6TC05591E","","","0.71073","MoKα","","0.0669","0.0504","","","0.1232","0.1374","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235202","18.1818","0.0009","8.7095","0.0004","37.051","0.002","90","","99.62","0.006","90","","5784.7","0.5","170.6","","170.6","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 O P -","- C38 H27 O P -","- C304 H216 O8 P8 -","8","1","","Zeyan Zhuang; Fan Bu; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Steric, conjugation and electronic impacts on the photoluminescence and electroluminescence properties of luminogens based on phosphindole oxide","Journal of Materials Chemistry C","2017","5","","1836","1842","10.1039/C6TC05591E","","","0.71073","MoKα","","0.056","0.0457","","","0.116","0.1218","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235721","22.855","0.003","5.7603","0.0005","17.559","0.0018","90","","109.164","0.003","90","","2183.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C116 H96 O12 -","4","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Substitution effect on chalcone based materials for corrosion and photocrosslinking applications","RSC Advances","2015","5","1","586","","10.1039/C4RA10884A","","","0.71073","MoKα","","0.0609","0.0461","","","0.1038","0.1105","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235724","5.7359","0.0006","14.0228","0.0015","12.8595","0.0014","90","","97.839","0.002","90","","1024.67","0.19","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C20 H20 F5 N O4 S -","- C20 H20 F5 N O4 S -","- C40 H40 F10 N2 O8 S2 -","2","1","","Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier","First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides","RSC Advances","2015","5","9","6864","","10.1039/C4RA14075C","","x-ray","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0991","","","","","","1.061","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235725","9.2994","0.0009","12.5496","0.0012","17.0351","0.0016","90","","90","","90","","1988.1","0.3","293","2","293","2","","","","","","","synthesis as described","6","P n 21 a","P -2ac -2n","33","","","","- C19 H21 F5 N2 O S -","- C19 H21 F5 N2 O S -","- C76 H84 F20 N8 O4 S4 -","4","1","","Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier","First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides","RSC Advances","2015","5","9","6864","","10.1039/C4RA14075C","","x-ray","0.71073","MoKα","","0.0919","0.0555","","","0.1212","0.1393","","","","","","0.952","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235726","12.291","0.002","12.542","0.002","14.204","0.003","73.826","0.005","86.706","0.007","74.532","0.005","2026.4","0.6","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 K4 Na2 O23 S8 -","- C24 H24 K4 Na2 O23 S8 -","- C48 H48 K8 Na4 O46 S16 -","2","1","","Kunda, Uma Maheswara Rao; Yamada, Manabu; Kimuro, Takashi; Katagiri, Hiroshi; Kondo, Yoshihiko; Hamada, Fumio","A hetero-alkali metallic (Na, K) three-dimensional supramolecular assembly based on p-sulfonatothiacalix[4]arene","RSC Advances","2015","5","38","30140","","10.1039/C4RA15628E","","","0.71075","MoKα","","0.0312","0.0262","","","0.077","0.0786","","","","","","1.071","","","","has coordinates","233263","2020-10-21","18:00:00",""
"7235727","5.5132","0.0001","11.811","0.0002","21.7712","0.0003","90","","90","","90","","1417.66","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl0 N O4 S Zn0 -","- C13 H19 N O4 S -","- C52 H76 N4 O16 S4 -","4","1","","Hassan Khan, Najm Ul; Zaib, Sumera; Sultana, Kishwar; Khan, Imtiaz; Mougang-Soume, Berline; Nadeem, Humaira; Hassan, Mukhtiar; Iqbal, Jamshed","Metal complexes of tosyl sulfonamides: design, X-ray structure, biological activities and molecular docking studies","RSC Advances","2015","5","38","30125","","10.1039/C4RA16124F","","","1.54178","CuKα","","0.032","0.0314","","","0.0837","0.0841","","","","","","1.042","","","","has coordinates","233264","2020-10-21","18:00:00",""
"7235728","11.935","0.003","12.812","0.003","20.795","0.005","90","","90","","90","","3179.8","1.3","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.0849","0.0744","","","0.1259","0.1343","","","","","","1.255","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235729","8.1661","0.0016","13.473","0.003","20.342","0.004","98.39","0.03","94.84","0.03","99.51","0.03","2170.1","0.8","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","2","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.1327","0.1046","","","0.2319","0.2511","","","","","","1.157","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235730","10.361","0.002","14.6319","0.0007","20.1158","0.0009","90","","90","","90","","3049.6","0.6","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.068","0.0625","","","0.1224","0.125","","","","","","1.224","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235731","6.3011","0.0013","15.399","0.003","16.736","0.003","104.22","0.03","94.76","0.03","96.35","0.03","1554.2","0.6","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","2","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.1171","0.0848","","","0.1539","0.1769","","","","","","1.177","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235732","11.9483","0.0004","21.6468","0.0007","19.0429","0.0005","90","","101.575","0.002","90","","4825.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 N2 O8 Zr2 -","- C43 H71 N2 O8 Zr2 -","- C172 H284 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2","RSC Advances","2015","5","36","28536","","10.1039/C4RA17201A","","","0.71073","MoKα","","0.0678","0.0409","","","0.1007","0.123","","","","","","1.047","","","","has coordinates,has disorder","233268","2020-10-21","18:00:00",""
"7235733","11.176","0.0003","11.3344","0.0003","26.2444","0.0008","94.36","0.002","101.224","0.002","100.485","0.002","3184.95","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H96 N2 O8 Zr2 -","- C59 H96 N2 O8 Zr2 -","- C118 H192 N4 O16 Zr4 -","2","1","","Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2","RSC Advances","2015","5","36","28536","","10.1039/C4RA17201A","","","0.71073","MoKα","","0.0684","0.0472","","","0.1464","0.1672","","","","","","1.195","","","","has coordinates","233268","2020-10-21","18:00:00",""
"7235734","16.8978","0.0005","13.4806","0.0004","24.3958","0.0007","90","","102.679","0.001","90","","5421.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zr","","- C49 H86 N2 O8 Zr2 -","- C49 H86 N2 O8 Zr2 -","- C196 H344 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2","RSC Advances","2015","5","36","28536","","10.1039/C4RA17201A","","","0.71073","MoKα","","0.0615","0.0473","","","0.1374","0.1613","","","","","","0.853","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235883","9.439","0.005","10.414","0.004","12.275","0.005","103.658","0.007","109.217","0.005","99.019","0.007","1070.4","0.8","","","140.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 N16 Ni O -","- C12 H32 N16 Ni O -","- C24 H64 N32 Ni2 O2 -","2","1","","Chen, Dong; Huang, Shiliang; Zhang, Qi; Yu, Qian; Zhou, Xiaoqing; Li, Hongzhen; Li, Jinshan","Two nitrogen-rich Ni(ii) coordination compounds based on 5,5′-azotetrazole: synthesis, characterization and effect on thermal decomposition for RDX, HMX and AP","RSC Advances","2015","5","41","32872","","10.1039/C5RA02464A","","","0.71073","MoKα","","0.0672","0.0509","","","0.1506","0.1835","","","","","","1.0649","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235884","6.7483","0.0008","8.2141","0.0009","8.2854","0.0009","113.252","0.01","112.492","0.011","97.526","0.01","367.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H20 N14 Ni -","- C8 H20 N14 Ni -","- C8 H20 N14 Ni -","1","0.5","","Chen, Dong; Huang, Shiliang; Zhang, Qi; Yu, Qian; Zhou, Xiaoqing; Li, Hongzhen; Li, Jinshan","Two nitrogen-rich Ni(ii) coordination compounds based on 5,5′-azotetrazole: synthesis, characterization and effect on thermal decomposition for RDX, HMX and AP","RSC Advances","2015","5","41","32872","","10.1039/C5RA02464A","","","0.71073","MoKα","","0.0701","0.0557","","","0.1503","0.187","","","","","","1.008","","","","has coordinates","233731","2020-10-21","18:00:00",""
"7235885","7.2288","0.0004","9.9748","0.0006","11.5954","0.0006","85.652","0.003","82.94","0.003","76.401","0.003","805.54","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Mn N8 O18 S2 -","- C18 H34 Mn N8 O18 S2 -","- C18 H34 Mn N8 O18 S2 -","1","0.5","","Mahmudov, Kamran T.; Sutradhar, Manas; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Ribera, Alice; Nunes, Ana V. M.; Gahramanova, Shahnaz I.; Marchetti, Fabio; Pombeiro, Armando J. L.","MnII and CuII complexes with arylhydrazones of active methylene compounds as effective heterogeneous catalysts for solvent- and additive-free microwave-assisted peroxidative oxidation of alcohols","RSC Advances","2015","5","33","25979","","10.1039/C5RA02667A","","","0.71073","MoKα","","0.0316","0.0273","","","0.0739","0.0774","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235886","9.9962","0.0004","17.2664","0.0008","13.1588","0.0006","90","","107.705","0.002","90","","2163.61","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cu4 N4 O30 S4 -","- C28 H48 Cu4 N4 O30 S4 -","- C56 H96 Cu8 N8 O60 S8 -","2","0.5","","Mahmudov, Kamran T.; Sutradhar, Manas; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Ribera, Alice; Nunes, Ana V. M.; Gahramanova, Shahnaz I.; Marchetti, Fabio; Pombeiro, Armando J. L.","MnII and CuII complexes with arylhydrazones of active methylene compounds as effective heterogeneous catalysts for solvent- and additive-free microwave-assisted peroxidative oxidation of alcohols","RSC Advances","2015","5","33","25979","","10.1039/C5RA02667A","","","0.71073","MoKα","","0.0766","0.0445","","","0.103","0.121","","","","","","1.024","","","","has coordinates","233733","2020-10-21","18:00:00",""
"7235887","7.7407","0.0004","10.0073","0.0006","12.4336","0.0007","89.732","0.001","89.884","0.001","84.946","0.001","959.39","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 O17 Zn2.5 -","- C13 H19 O17 Zn2.5 -","- C26 H38 O34 Zn5 -","2","1","","Yang, Gaoshan; Wen, Huiliang; Liu, Chongbo; Robbins, Julianne; Wen, Yunhan; Zhang, Z. John","Self-assembly, crystal structures and properties of metal‒3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on polynuclear metal-hydroxyl clusters (M = Zn, Co)","RSC Advances","2015","5","37","29362","","10.1039/C5RA02700D","","","0.71073","MoKα","","0.0226","0.0219","","","0.0586","0.059","","","","","","1.09","","","","has coordinates","233735","2020-10-21","18:00:00",""
"7235888","8.0745","0.0003","8.5747","0.0004","22.7033","0.001","90","","92.166","0.001","90","","1570.77","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 O13 Zn2.5 -","- C13 H11 O13 Zn2.5 -","- C52 H44 O52 Zn10 -","4","1","","Yang, Gaoshan; Wen, Huiliang; Liu, Chongbo; Robbins, Julianne; Wen, Yunhan; Zhang, Z. John","Self-assembly, crystal structures and properties of metal‒3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on polynuclear metal-hydroxyl clusters (M = Zn, Co)","RSC Advances","2015","5","37","29362","","10.1039/C5RA02700D","","","0.71073","MoKα","","0.0276","0.0247","","","0.0632","0.0646","","","","","","1.073","","","","has coordinates","233735","2020-10-21","18:00:00",""
"7235889","7.9468","0.0003","12.5413","0.0005","12.562","0.0005","111.67","","106.2","","94.38","","1094.48","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H22 Co3 O19 -","- C13 H22 Co3 O19 -","- C26 H44 Co6 O38 -","2","1","","Yang, Gaoshan; Wen, Huiliang; Liu, Chongbo; Robbins, Julianne; Wen, Yunhan; Zhang, Z. John","Self-assembly, crystal structures and properties of metal‒3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on polynuclear metal-hydroxyl clusters (M = Zn, Co)","RSC Advances","2015","5","37","29362","","10.1039/C5RA02700D","","","0.71073","MoKα","","0.0303","0.0277","","","0.0737","0.0755","","","","","","1.066","","","","has coordinates","233735","2020-10-21","18:00:00",""
"7235890","8.6087","0.001","12.0564","0.0013","13.9281","0.0015","108.468","0.003","104.708","0.003","94.122","0.003","1307.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Br N O3 -","- C30 H26 Br N O3 -","- C60 H52 Br2 N2 O6 -","2","1","","Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde","Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes","RSC Advances","2015","5","34","26491","","10.1039/C5RA02918J","","","0.71073","MoKα","","0.0933","0.0514","","","0.1409","0.1672","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235891","5.8328","0.0006","11.8968","0.0014","19.757","0.002","78.469","0.004","88.02","0.004","82.246","0.004","1331","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C62 H58 N2 O10 -","2","1","","Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde","Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes","RSC Advances","2015","5","34","26491","","10.1039/C5RA02918J","","","0.71073","MoKα","","0.0743","0.0476","","","0.132","0.1447","","","","","","0.937","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235892","19.841","0.005","14.847","0.004","8.918","0.002","90","","90.596","0.006","90","","2626.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl N O5 -","- C30 H26 Cl N O5 -","- C120 H104 Cl4 N4 O20 -","4","1","","Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde","Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes","RSC Advances","2015","5","34","26491","","10.1039/C5RA02918J","","","0.71073","MoKα","","0.2109","0.0678","","","0.0883","0.1094","","","","","","1.059","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235893","10.772","0.0006","12.0538","0.0007","18.4416","0.001","90","","90","","90","","2394.5","0.2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C128 H80 O32 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0595","0.0446","","","0.1033","0.1107","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235894","12.1385","0.0004","10.7741","0.0003","20.8967","0.0006","90","","94.598","0.002","90","","2724.1","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br F N2 O2 -","- C32 H26 Br F N2 O2 -","- C128 H104 Br4 F4 N8 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0571","0.0358","","","0.0798","0.0879","","","","","","1.029","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235895","8.5336","0.0003","9.2212","0.0004","16.6852","0.0006","90","","102.58","0.002","90","","1281.44","0.09","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C32 H27 F N2 O2 -","- C32 H27 F N2 O2 -","- C64 H54 F2 N4 O4 -","2","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0616","0.0413","","","0.0818","0.0912","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235896","31.6167","0.001","10.4048","0.0003","16.4565","0.0005","90","","114.191","0.002","90","","4938.2","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0835","0.0481","","","0.1076","0.1282","","","","","","1.008","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235897","15.2321","0.0011","6.7111","0.0005","33.287","0.002","90","","90","","90","","3402.7","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 F N3 O2 -","- C21 H14 F N3 O2 -","- C168 H112 F8 N24 O16 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0771","0.0441","","","0.1034","0.1196","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235898","23.8305","0.0013","9.8495","0.0005","19.7081","0.0011","90","","102.587","0.003","90","","4514.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C224 H256 N16 O16 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.1595","0.06","","","0.0979","0.1295","","","","","","0.98","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235899","7.7191","0.0002","13.9145","0.0003","12.558","0.0003","90","","99.863","0.001","90","","1328.89","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F O4 -","- C17 H11 F O4 -","- C68 H44 F4 O16 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0437","0.0379","","","0.1048","0.1081","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235900","8.5696","0.0002","19.5048","0.0005","11.9609","0.0003","90","","106.2","0.002","90","","1919.86","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N3 O2 -","- C26 H17 N3 O2 -","- C104 H68 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.1384","0.0571","","","0.0983","0.1281","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235901","12.1684","0.0003","6.5944","0.0001","17.0941","0.0004","90","","105.865","0.001","90","","1319.44","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0523","0.0456","","","0.1096","0.1149","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235902","12.49","0.0009","12.5364","0.001","16.5875","0.0013","72.841","0.007","74.133","0.007","65.716","0.007","2227.3","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C97 H119 N3 O23.7 -","- C97 H119 N3 O23.704 -","- C97 H119 N3 O23.704 -","1","0.5","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh; Rissanen, Kari","Aromatic N-oxide templates open inclusion and dimeric capsular assemblies with methylresorcinarene","RSC Advances","2015","5","38","30222","","10.1039/C5RA03667D","","x-ray","0.71073","MoKα","","0.0902","0.0628","","","0.1564","0.1775","","","","","","1.067","","","","has coordinates,has disorder","233744","2020-10-21","18:00:00",""
"7235903","12.143","0.002","12.791","0.003","18.158","0.004","95.58","0.03","106.88","0.03","113.4","0.03","2403.2","1.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H67 N O12 -","- C52 H67 N O12 -","- C104 H134 N2 O24 -","2","1","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh; Rissanen, Kari","Aromatic N-oxide templates open inclusion and dimeric capsular assemblies with methylresorcinarene","RSC Advances","2015","5","38","30222","","10.1039/C5RA03667D","","","0.71073","MoKα","","0.1494","0.0724","","","0.1222","0.1485","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235904","13.1976","0.0017","10.5014","0.0008","9.8453","0.0011","90","","108.284","0.014","90","","1295.6","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Huang, Wei; Liu, Shen; Chen, Binhui; Guo, Xiao; Yu, Yongping","Synthesis of polysubstituted 4-aminopyrazoles and 4-hydroxypyrazoles from vinyl azides and hydrazines","RSC Advances","2015","5","41","32740","","10.1039/C5RA04371A","","","0.71073","MoKα","","0.0769","0.0488","","","0.1109","0.1267","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235905","13.412","0.004","13.544","0.003","14.951","0.004","113.82","0.02","90.15","0.02","111.63","0.02","2272.6","1.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 N2 O7 S2 -","- C50 H46 N2 O7 S2 -","- C100 H92 N4 O14 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0881","0.054","","","0.1165","0.1406","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235906","15.263","0.0004","15.5332","0.0003","19.3594","0.0007","90","","100.221","0.003","90","","4517","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 N2 O7 S2 -","- C51 H48 N2 O7 S2 -","- C204 H192 N8 O28 S8 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0854","0.0536","","","0.1157","0.132","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235907","15.3836","0.0005","15.5242","0.0003","19.5258","0.0006","90","","100.466","0.003","90","","4585.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 N2 O7 S2 -","- C52 H50 N2 O7 S2 -","- C208 H200 N8 O28 S8 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0884","0.0569","","","0.1194","0.1356","","","","","","1.033","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235908","15.4604","0.0005","19.5093","0.0007","18.6701","0.0006","90","","96.156","0.003","90","","5598.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 N2 O9 S2 -","- C59 H68 N2 O9 S2 -","- C236 H272 N8 O36 S8 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1118","0.0718","","","0.1816","0.2033","","","","","","1.047","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235909","10.2879","0.0011","11.452","0.001","11.8164","0.0008","103.006","0.007","93.516","0.007","91.882","0.008","1352.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 N2 O8 S2 -","- C58 H64 N2 O8 S2 -","- C58 H64 N2 O8 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1079","0.0684","","","0.1897","0.2143","","","","","","1.074","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235910","10.4668","0.0007","11.3787","0.0007","11.8377","0.0008","103.561","0.006","92.449","0.006","92.814","0.005","1366.76","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N2 O8 S2 -","- C60 H68 N2 O8 S2 -","- C60 H68 N2 O8 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.097","0.0639","","","0.1417","0.157","","","","","","1.015","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235911","9.6402","0.0006","11.3384","0.0008","13.9981","0.0012","83.054","0.006","83.325","0.006","86.826","0.005","1507.2","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H72 N6 O10 S2 -","- C62 H72 N6 O10 S2 -","- C62 H72 N6 O10 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1001","0.0679","","","0.1753","0.1988","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235912","8.8152","0.0006","9.3074","0.0009","19.3273","0.0011","87.102","0.006","89.767","0.005","63.85","0.008","1421.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H68 N2 O10 S6 -","- C58 H68 N2 O10 S6 -","- C58 H68 N2 O10 S6 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1079","0.0669","","","0.148","0.1657","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235913","10.2797","0.001","10.6209","0.0014","12.2253","0.0009","81.195","0.009","74.204","0.008","69.673","0.011","1201.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H52 N2 O8 S2 -","- C54 H52 N2 O8 S2 -","- C54 H52 N2 O8 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.105","0.0652","","","0.1549","0.1797","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235914","10.8382","0.0011","13.004","0.001","17.5401","0.0016","96.672","0.007","91.67","0.008","94.678","0.008","2445.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 N2 O10 S2 -","- C52 H56 N2 O10 S2 -","- C104 H112 N4 O20 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.112","0.0624","","","0.1348","0.1617","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235915","15.2948","0.0007","18.2388","0.0013","9.5627","0.0006","90","","90","","90","","2667.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H62 N2 O9 S2 -","- C56 H62 N2 O9 S2 -","- C112 H124 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0712","0.0644","","","0.0884","0.1012","","","","","","1.012","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235916","18.878","0.003","15.3625","0.0017","9.4488","0.001","90","","90","","90","","2740.3","0.6","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H66 N2 O9 S2 -","- C58 H66 N2 O9 S2 -","- C116 H132 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1137","0.0686","","","0.1349","0.1562","","","","","","1.064","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235917","19.8998","0.0009","15.4214","0.0006","9.2206","0.0003","90","","90","","90","","2829.64","0.19","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H70 N2 O9 S2 -","- C60 H70 N2 O9 S2 -","- C120 H140 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1005","0.0651","","","0.121","0.1395","","","","","","1.046","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235918","13.8413","0.0012","12.9378","0.0008","18.2777","0.0017","90","","125.265","0.006","90","","2672.5","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 N4 O11 S2 -","- C56 H64 N4 O11 S2 -","- C112 H128 N8 O22 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0914","0.0601","","","0.1398","0.161","","","","","","1.027","","","","has coordinates","233750","2020-10-21","18:00:00",""
"7235919","11.3123","0.0008","14.8291","0.001","10.8777","0.0008","90","","102.943","0.007","90","","1778.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-(furan-2-ylmethylene)bis(6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione)","","- C18 H24 N6 O4 -","- C17 H20 N6 O5 -","- C68 H80 N24 O20 -","4","1","","Brahmachari, Goutam; Banerjee, Bubun","Ceric ammonium nitrate (CAN): an efficient and eco-friendly catalyst for the one-pot synthesis of alkyl/aryl/heteroaryl-substituted bis(6-aminouracil-5-yl)methanes at room temperature","RSC Advances","2015","5","49","39263","","10.1039/C5RA04723D","","","0.71073","MoKα","","0.0823","0.052","","","0.1292","0.1497","","","","","","1.068","","","","has coordinates","233752","2020-10-21","18:00:00",""
"7235920","10.802","0.002","27.406","0.006","13.233","0.003","90","","100.08","0.03","90","","3857","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C51H37N3","PTPAT","","- C51 H37 N3 -","- C51 H37 N3 -","- C204 H148 N12 -","4","1","","Ouyang, Xinhua; Li, Xiang-Long; Bai, Yongqi; Mi, Dongbo; Ge, Ziyi; Su, Shi-Jian","Highly-efficient hybrid white organic light-emitting diodes based on a high radiative exciton ratio deep-blue emitter with improved concentration of phosphorescent dopant","RSC Advances","2015","5","41","32298","","10.1039/C5RA05432J","","","0.71073","MoKα","","0.1375","0.0949","","","0.2326","0.2606","","","","","","1.144","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235921","6.9901","0.0007","10.924","0.0011","12.1442","0.0013","97.445","0.002","98.875","0.002","105.9","0.002","866.64","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl Fe N4 O3 -","- C18 H12 Cl Fe N4 O3 -","- C36 H24 Cl2 Fe2 N8 O6 -","2","1","","Fu, Ling-Zhi; Zhou, Ling-Ling; Zhan, Shu-Zhong","Electrochemical-driven water reduction and oxidation catalyzed by an iron(iii) complex supported by 2,3-bis(2-hydroxybenzylideneimino)-2,3-butenedinitrile","RSC Advances","2015","5","53","42287","","10.1039/C5RA05520B","","","0.71073","MoKα","","0.0395","0.0306","","","0.087","0.0922","","","","","","1.043","","","","has coordinates","233755","2020-10-21","18:00:00",""
"7235922","9.0447","0.0015","11.7121","0.0019","18.619","0.003","90","","90","","90","","1972.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Mishra, Amrita; Mishra, Bhuwan B.; Tiwari, Vinod K.","Regioselective facile synthesis of novel isoxazole-linked glycoconjugates","RSC Advances","2015","5","52","41520","","10.1039/C5RA05905D","","","0.71073","MoKα","","0.0626","0.0515","","","0.138","0.1471","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235923","11.0822","0.0007","11.5824","0.0007","15.3798","0.0014","96.815","0.004","99.359","0.004","115.128","0.003","1724.1","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H29 N O5 -","- C17 H29 N O5 -","- C68 H116 N4 O20 -","4","4","","Huang, Chih-Yu; Chen, Li-Hsun; Huang, Hsuan-Yu; Kao, Feng-Sheng; Lee, Yun-Ta; Selvaraju, Manikandan; Sun, Chung-Ming; Chen, Hueih-Min","Parallel synthesis and biological evolution of quinic acid derivatives as immuno-suppressing agents against T-cell receptors","RSC Advances","2015","5","63","50801","","10.1039/C5RA06095H","","","0.71073","MoKα","","0.0777","0.0599","","","0.1379","0.1859","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235924","11.3254","0.0014","12.8643","0.0016","7.6518","0.001","90","","101.62","0.002","90","","1092","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Naresh Kumar Reddy, N.; Adimurthy, Subbarayappa","Substrate selective synthesis of pyrazolo[1,5-a]pyridines through [3 + 2] cycloaddition of N-aminopyridines and β-nitro styrenes","RSC Advances","2015","5","53","42961","","10.1039/C5RA06707C","","","0.71073","MoKα","","0.0486","0.0424","","","0.1138","0.1212","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235925","8.8713","0.0005","7.0968","0.0004","12.0516","0.0006","90","","110.095","0.003","90","","712.55","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0573","0.0434","","","0.1095","0.12","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235926","7.2089","0.0004","8.7381","0.0005","10.2105","0.0006","78.365","0.002","88.899","0.002","67.042","0.002","578.8","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl N O3 -","- C13 H8 Cl N O3 -","- C26 H16 Cl2 N2 O6 -","2","1","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0441","0.037","","","0.103","0.1088","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235927","7.3355","0.0003","10.3916","0.0004","14.2893","0.0005","82.618","0.002","86.176","0.002","84.05","0.002","1072.82","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","2","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0561","0.038","","","0.1004","0.1165","","","","","","1.077","","","","has coordinates","233761","2020-10-21","18:00:00",""
"7235928","9.2951","0.0008","17.4748","0.0014","13.755","0.0011","90","","100.27","0.005","90","","2198.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F N O3 -","- C13 H8 F N O3 -","- C104 H64 F8 N8 O24 -","8","2","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.1498","0.0628","","","0.1153","0.1433","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235929","17.0453","0.0011","4.0783","0.0003","18.944","0.0012","90","","115.131","0.003","90","","1192.25","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl N O2 -","- C13 H12 Cl N O2 -","- C52 H48 Cl4 N4 O8 -","4","1","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0399","0.0367","","","0.1046","0.1082","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235930","15.285","0.003","18.355","0.004","7.596","0.0016","90","","90","","90","","2131.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H18 Br N O2 -","- C26 H18 Br N O2 -","- C104 H72 Br4 N4 O8 -","4","1","","Zhang, Jungui; Yao, Juan; Liu, Jiaming; Xue, Shuwen; Li, Yang; Wang, Cunde","Four-component reaction between naphthols, substituted β-nitrostyrenes, substituted benzaldehydes and ammonium acetate in water–PEG-400: an approach to construct polysubstituted naphthofuranamines","RSC Advances","2015","5","60","48580","","10.1039/C5RA07642K","","","0.71073","MoKα","","0.1696","0.0888","","","0.2049","0.2461","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235931","7.734","0.001","20.297","0.003","26.738","0.003","90","","90","","90","","4197.3","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl N O2 -","- C26 H18 Cl N O2 -","- C208 H144 Cl8 N8 O16 -","8","1","","Zhang, Jungui; Yao, Juan; Liu, Jiaming; Xue, Shuwen; Li, Yang; Wang, Cunde","Four-component reaction between naphthols, substituted β-nitrostyrenes, substituted benzaldehydes and ammonium acetate in water–PEG-400: an approach to construct polysubstituted naphthofuranamines","RSC Advances","2015","5","60","48580","","10.1039/C5RA07642K","","","0.71073","MoKα","","0.1836","0.0792","","","0.1959","0.2321","","","","","","1.249","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235932","9.9831","0.0018","19.432","0.004","30.421","0.005","90","","90","","90","","5901.4","1.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18.5 N2 O -","- C17 H18 N2 O -","- C272 H288 N32 O16 -","16","2","","Majumdar, Swapan; Chakraborty, Mithun; Pramanik, Nabyendu; Maiti, Dilip K.","Grindstone chemistry: protic ionic liquid-substrate tuned green synthesis of 1,2-disubstituted and 2-substituted benzimidazoles with outstanding selectivity","RSC Advances","2015","5","63","51012","","10.1039/C5RA08183A","","","0.71073","MoKα","","0.0744","0.0532","","","0.0786","0.081","","","","","","2.524","","","","has coordinates","233764","2020-10-21","18:00:00",""
"7235933","9.9262","0.0013","17.2292","0.0009","9.7256","0.0008","90","","90","","90","","1663.3","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H18 N2 S2 Sn -","- C14 H18 N2 S2 Sn -","- C56 H72 N8 S8 Sn4 -","4","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","1.54184","CuKα","","0.1017","0.0706","","","0.2017","0.2518","","","","","","1.091","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7235934","10.6207","0.0015","11.907","0.005","11.589","0.002","90","","91.786","0.013","90","","1464.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cl N2 S Sn -","- C10 H17 Cl N2 S Sn -","- C40 H68 Cl4 N8 S4 Sn4 -","4","1","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","0.71069","MoKα","","0.1392","0.0538","","","0.112","0.1365","","","","","","0.99","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7235935","8","0.001","20.119","0.004","16.731","0.002","90","","90","","90","","2692.9","0.7","298","2","298","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H13 Cl N2 S Sn -","- C8 H13 Cl N2 S Sn -","- C64 H104 Cl8 N16 S8 Sn8 -","8","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","0.71069","MoKα","","0.1411","0.0546","","","0.1033","0.128","","","","","","0.976","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7235936","11.9577","0.0013","12.2216","0.0013","13.5034","0.0014","102.535","0.002","98.857","0.002","107.293","0.002","1788.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N3 Nd O11 -","- C27 H34 N3 Nd O11 -","- C54 H68 N6 Nd2 O22 -","2","1","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Ke, Szu-Yu; Cheng, Yi-Ting; Yang, Ching-Chun; Lee, Gene-Hsiang; Chang, Chung-Kai; Sheu, Hwo-Shuenn","Assembly of three Nd(iii) 2,6-naphthalenedicarboxylates (ndc2−) 3D coordination polymers based on various secondary building units (SBUs): structural diversity and gas sorption properties","RSC Advances","2015","5","112","92378","","10.1039/C5RA10799G","","","0.71073","MoKα","","0.0993","0.0895","","","0.243","0.2493","","","","","","1.172","","","","has coordinates,has disorder","233768","2020-10-21","18:00:00",""
"7235937","18.8575","0.001","21.8147","0.0012","12.8837","0.0006","90","","90","","90","","5300","0.5","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H29 N2 Nd O9 -","- C26 H29 N2 Nd O9 -","- C208 H232 N16 Nd8 O72 -","8","1","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Ke, Szu-Yu; Cheng, Yi-Ting; Yang, Ching-Chun; Lee, Gene-Hsiang; Chang, Chung-Kai; Sheu, Hwo-Shuenn","Assembly of three Nd(iii) 2,6-naphthalenedicarboxylates (ndc2−) 3D coordination polymers based on various secondary building units (SBUs): structural diversity and gas sorption properties","RSC Advances","2015","5","112","92378","","10.1039/C5RA10799G","","","0.71073","MoKα","","0.0622","0.0492","","","0.1124","0.119","","","","","","1.05","","","","has coordinates,has disorder","233768","2020-10-21","18:00:00",""
"7235938","9.832","0.0003","21.3218","0.0007","13.7949","0.0004","90","","105.602","0.0014","90","","2785.35","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N2 Nd O10 -","- C26 H27 N2 Nd O10 -","- C104 H108 N8 Nd4 O40 -","4","1","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Ke, Szu-Yu; Cheng, Yi-Ting; Yang, Ching-Chun; Lee, Gene-Hsiang; Chang, Chung-Kai; Sheu, Hwo-Shuenn","Assembly of three Nd(iii) 2,6-naphthalenedicarboxylates (ndc2−) 3D coordination polymers based on various secondary building units (SBUs): structural diversity and gas sorption properties","RSC Advances","2015","5","112","92378","","10.1039/C5RA10799G","","","0.71073","MoKα","","0.0684","0.0473","","","0.1252","0.1361","","","","","","1.06","","","","has coordinates","233768","2020-10-21","18:00:00",""
"7235939","44.873","0.002","16.4811","0.001","16.1764","0.0011","90","","103.144","0.007","90","","11649.9","1.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 O8 -","- C60 H80 O8 -","- C480 H640 O64 -","8","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene–metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","0.1408","0.0867","","","0.2459","0.2845","","","","","","1.003","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235940","15.829","0.011","16.002","0.01","20.195","0.012","94.815","0.018","91.045","0.016","116.086","0.014","4569","5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C111 H122 N4 O11 -","- C111 H122 N4 O11 -","- C222 H244 N8 O22 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.1085","","","","0.3493","","","","","","1.034","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7235941","23.2226","0.0016","20.3406","0.0012","12.1702","0.0006","90","","90","","90","","5748.7","0.6","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C65 H85 N O8 -","- C65 H85 N O8 -","- C260 H340 N4 O32 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.0759","","","","0.2233","","","","","","0.967","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7235942","23.2197","0.0016","20.5223","0.0004","12.0874","0.0003","90","","90","","90","","5759.9","0.4","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C68 H88 O8 -","- C68 H88 O8 -","- C272 H352 O32 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.0437","","","","0.1247","","","","","","1.089","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7235943","12.8462","0.0004","25.706","0.0008","18.2551","0.0013","90","","93.941","0.007","90","","6014","0.5","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 O8 -","- C64 H96 O8 -","- C256 H384 O32 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene–metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71073","MoKα","","0.0708","0.0499","","","0.1321","0.1444","","","","","","1.081","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235944","4.719","0.0013","22.606","0.006","11.214","0.003","90","","92.837","0.003","90","","1194.8","0.6","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C48 H52 Cl4 N8 O8 -","4","1","","Zhang, Xuan; Song, Guang-Jie; Cao, Xiang-Jian; Liu, Jin-Ting; Chen, Ming-Yu; Cao, Xiao-Qun; Zhao, Bao-Xiang","A new fluorescent pH probe for acidic conditions","RSC Advances","2015","5","109","89827","","10.1039/C5RA14174E","","","0.71","MoKα","","0.0313","0.0298","","","0.0766","0.0781","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235945","14.6957","0.0003","4.84494","0.00011","23.1542","0.0005","90","","102.219","0.002","90","","1611.23","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-N'-(2-(allyloxy)benzylidene)-2-(4-bromophenyl)acetohydrazide","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C72 H68 Br4 N8 O8 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Ejaz, Syeda Abida; Khan, Shafi Ullah; Shah, Syed Jawad Ali; Hameed, Shahid; Simpson, Jim; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed","Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies","RSC Advances","2015","5","110","90806","","10.1039/C5RA14836G","","","1.54184","CuKα","","0.0616","0.0531","","","0.1342","0.1408","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235946","20.4423","0.0011","5.5758","0.0003","7.635","0.0007","90","","98.621","0.007","90","","860.42","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","E)-N'-(biphenyl-4-ylmethylene)-2-(4-bromophenyl)acetohydrazide","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C42 H34 Br2 N4 O2 -","2","1","","Khan, Imtiaz; Ibrar, Aliya; Ejaz, Syeda Abida; Khan, Shafi Ullah; Shah, Syed Jawad Ali; Hameed, Shahid; Simpson, Jim; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed","Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies","RSC Advances","2015","5","110","90806","","10.1039/C5RA14836G","","","1.54184","CuKα","","0.0914","0.0858","","","0.2443","0.2495","","","","","","1.13","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235947","14.329","0.003","5.2662","0.0011","9.1129","0.0018","90","","119.1","0.03","90","","600.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Glycine sodium nitrate","","- C2 H5 N2 Na O5 -","- C2 H5 N2 Na O5 -","- C8 H20 N8 Na4 O20 -","4","1","","Dadsetani, M.; Omidi, A. R.","Ab initio study on optical properties of glycine sodium nitrate: a novel semiorganic nonlinear optical crystal","RSC Advances","2015","5","110","90559","","10.1039/C5RA14945B","","","0.71073","MoKα","","0.029","0.029","","","0.077","0.078","","","","","","1.071","","","","has coordinates","233779","2020-10-21","18:00:00",""
"7235948","22.372","0.0018","10.6579","0.0009","8.0526","0.0007","90","","90","","90","","1920.1","0.3","153","2","153","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H25 B F2 N2 O2 -","- C21 H25 B F2 N2 O2 -","- C84 H100 B4 F8 N8 O8 -","4","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.0384","0.0314","","","0.0675","0.0701","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235949","7.1062","0.0009","22.149","0.003","16.237","0.002","90","","99.192","0.002","90","","2522.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O4 S -","- C25 H34 N2 O4 S -","- C100 H136 N8 O16 S4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.0722","0.0498","","","0.1221","0.1427","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235950","7.417","0.005","11.759","0.005","15.714","0.005","106.783","0.005","98.029","0.005","97.972","0.005","1275.9","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N2 O2 Se -","- C21 H26 N2 O2 Se -","- C42 H52 N4 O4 Se2 -","2","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.0636","0.0423","","","0.1008","0.1071","","","","","","0.969","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235951","14.6181","0.0019","11.4652","0.0014","15.805","0.003","90","","107.013","0.004","90","","2533","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 B N2 O2 S -","- C27 H29 B N2 O2 S -","- C108 H116 B4 N8 O8 S4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.244","0.0625","","","0.1059","0.1581","","","","","","0.925","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235952","14.5257","0.0008","11.2585","0.0006","15.9893","0.0009","90","","106.794","0.002","90","","2503.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 B N2 O2 Se -","- C27 H29 B N2 O2 Se -","- C108 H116 B4 N8 O8 Se4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.078","0.0455","","","0.1059","0.1286","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235953","11.9074","0.0006","12.1853","0.0006","17.801","0.0009","93.32","0.002","103.831","0.002","103.498","0.002","2420.9","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H27 B F2 N2 O2 S -","- C22 H27 B F2 N2 O2 S -","- C88 H108 B4 F8 N8 O8 S4 -","4","2","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.1478","0.0751","","","0.1772","0.1993","","","","","","0.96","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7235954","41.799","0.008","7.8933","0.0016","26.972","0.005","90","","108.32","0.03","90","","8448","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C352 H448 N32 O32 S16 -","16","2","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.1462","0.0666","","","0.1406","0.1721","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235955","20.261","0.004","46.298","0.009","8.3561","0.0017","90","","90","","90","","7838","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","- C336 H368 N32 O32 S16 -","8","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.058","0.0481","","","0.1128","0.1201","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235956","11.811","0.005","14.264","0.005","17.76","0.005","90","0.005","102.367","0.005","90","0.005","2922.6","1.8","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 B F2 N2 O2 P -","- C33 H34 B F2 N2 O2 P -","- C132 H136 B4 F8 N8 O8 P4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.116","0.0608","","","0.1162","0.139","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235957","10.8633","0.0005","12.9671","0.0004","14.6615","0.0005","90","","104.876","0.004","90","","1996.08","0.14","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F3 N2 O4 -","- C20 H21 F3 N2 O4 -","- C80 H84 F12 N8 O16 -","4","1","","Li, Ke; Zhao, Xue-Mei; Yang, Fa-Liu; Hou, Xiao-Han; Xu, Yan; Guo, Yan-Chun; Hao, Xin-Qi; Song, Mao-Ping","Catalyst-free Friedel–Crafts hydroxyalkylation of imidazo[1,2-α]pyridines with ethyl trifluoropyruvate","RSC Advances","2015","5","110","90478","","10.1039/C5RA15678E","","","1.54184","CuKα","","0.0479","0.0407","","","0.1073","0.1139","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235958","12.4185","0.0004","19.1948","0.0007","24.2024","0.0009","90","","90","","90","","5769.1","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 N3 O8 Si -","- C30 H31 N3 O8 Si -","- C240 H248 N24 O64 Si8 -","8","1","","Wang, Biao; Leng, Hai-Jun; Yang, Xue-Yuan; Han, Bo; Rao, Chao-Long; Liu, Li; Peng, Cheng; Huang, Wei","Efficient synthesis of tetrahydronaphthalene- or isochroman-fused spirooxindoles using tandem reactions","RSC Advances","2015","5","107","88272","","10.1039/C5RA15735H","","","0.71073","MoKα","","0.0902","0.0519","","","0.1343","0.1567","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235959","12.573","0.002","15.09","0.003","21.612","0.004","100.154","0.003","103.996","0.003","94.967","0.003","3880.3","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H60 Mn2 N12 O8 Ru2 -","- C68 H60 Mn2 N12 O8 Ru2 -","- C136 H120 Mn4 N24 O16 Ru4 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0814","0.0557","","","0.1452","0.1586","","","","","","0.919","","","","has coordinates","233788","2020-10-21","18:00:00",""
"7235960","11.3228","0.0008","13.2197","0.001","14.341","0.0011","79.965","0.001","85.024","0.001","81.508","0.001","2086.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Mn N6 O4 Ru -","- C38 H34 Mn N6 O4 Ru -","- C76 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0663","0.0583","","","0.1379","0.1416","","","","","","1.168","","","","has coordinates,has disorder","233788","2020-10-21","18:00:00",""
"7235961","9.9611","0.0013","12.0243","0.0016","12.4374","0.0017","103.509","0.002","102.368","0.002","94.169","0.002","1403","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu N12 O4 Ru2 -","- C48 H48 Cu N12 O4 Ru2 -","- C48 H48 Cu N12 O4 Ru2 -","1","0.5","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0453","0.0419","","","0.146","0.1516","","","","","","1.057","","","","has coordinates,has disorder","233788","2020-10-21","18:00:00",""
"7235962","11.2322","0.0011","12.9655","0.0013","17.3258","0.0018","84.393","0.002","81.625","0.002","71.103","0.002","2358.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Mn N6 O4 Ru -","- C43 H36 Mn N6 O4 Ru -","- C86 H72 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0449","0.0332","","","0.1019","0.1081","","","","","","1.104","","","","has coordinates","233788","2020-10-21","18:00:00",""
"7235963","11.68","0.003","13.56","0.003","17.386","0.004","82.361","0.004","78.858","0.004","67.126","0.003","2484.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Mn N6 O4 Ru -","- C46 H34 Mn N6 O4 Ru -","- C92 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0904","0.0654","","","0.1728","0.183","","","","","","1.106","","","","has coordinates,has disorder","233788","2020-10-21","18:00:00",""
"7235964","10.1792","0.0015","6.7279","0.0009","12.8158","0.0018","90","","111.698","0.004","90","","815.5","0.2","571","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H16 Co2 N4 O11 -","- C9 H8 Co2 N4 O11 -","- C18 H16 Co4 N8 O22 -","2","0.5","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping","Spin-canting magnetization in 3D metal organic frameworks based on strip-shaped Δ-chains","RSC Advances","2015","5","94","76752","","10.1039/C5RA15937G","","","0.71073","MoKα","","0.038","0.0345","","","0.0954","0.0983","","","","","","1.025","","","","has coordinates","233790","2020-10-21","18:00:00",""
"7235965","10.015","0.0009","6.6124","0.0005","12.4721","0.0011","90","","109.412","0.002","90","","778.99","0.11","571","2","571","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 Cu2 N4 O10 -","- C9 H8 Cu2 N4 O10 -","- C18 H16 Cu4 N8 O20 -","2","0.5","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping","Spin-canting magnetization in 3D metal organic frameworks based on strip-shaped Δ-chains","RSC Advances","2015","5","94","76752","","10.1039/C5RA15937G","","","1.54178","CuKα","","0.1726","0.105","","","0.2335","0.2989","","","","","","1.002","","","","has coordinates,has disorder","233790","2020-10-21","18:00:00",""
"7235966","14.0141","0.0012","11.9783","0.001","20.0014","0.0018","90","","106.989","0.004","90","","3211","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Co Mn N8 O3 -","- C32 H26 Co Mn N8 O3 -","- C128 H104 Co4 Mn4 N32 O12 -","4","1","","Alexandru, Maria-Gabriela; Visinescu, Diana; Marino, Nadia; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel","{CoIIIMnIII}ncorrugated chains based on heteroleptic cyanido metalloligands","RSC Advances","2015","5","116","95410","","10.1039/C5RA16307B","","","0.71073","MoKα","","0.0605","0.0401","","","0.1233","0.1435","","","","","","1.112","","","","has coordinates","233792","2020-10-21","18:00:00",""
"7235967","13.206","0.003","12.307","0.003","20.386","0.005","90","","104.201","0.013","90","","3212","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Co Mn N8 O2 -","- C34 H26 Co Mn N8 O2 -","- C136 H104 Co4 Mn4 N32 O8 -","4","1","","Alexandru, Maria-Gabriela; Visinescu, Diana; Marino, Nadia; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel","{CoIIIMnIII}ncorrugated chains based on heteroleptic cyanido metalloligands","RSC Advances","2015","5","116","95410","","10.1039/C5RA16307B","","","0.71073","MoKα","","0.0522","0.0392","","","0.1098","0.1242","","","","","","1.134","","","","has coordinates","233792","2020-10-21","18:00:00",""
"7235968","6.3894","0.0001","11.8924","0.0002","19.9718","0.0004","90","","90","","90","","1517.56","0.05","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Shi, Zhi-Ran; Shen, Yun-Heng; Zhang, Xian-Yuan; Fang, Xin; Zeng, Ren-Tao; Liu, Qing-Xin; Zhuo, Zhi-Guo; Feng, Feng; Zhang, Wei-Dong","Structurally novel C17-sesquiterpene lactones from Ainsliaea pertyoides","RSC Advances","2015","5","111","91640","","10.1039/C5RA16551B","","","1.54178","CuKα","","0.0341","0.0332","","","0.0881","0.0896","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235969","10.7231","0.0014","11.7791","0.0016","13.958","0.0019","109.907","0.002","93.565","0.003","107.606","0.003","1553","0.4","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H84 Br2 N4 Ni4 O25 -","- C50 H78 Br2 N4 Ni4 O25.0002 -","- C50 H78 Br2 N4 Ni4 O25.0002 -","1","0.5","","Giri, Gopal C.; Patra, Ayan; Vijaykumar, Gonela; Carrella, Luca; Bera, Manindranath","Hydrolytically active tetranuclear [NiII2]2 complexes: synthesis, structure, spectroscopy and phosphoester hydrolysis","RSC Advances","2015","5","120","99270","","10.1039/C5RA16555E","","","0.71073","MoKα","","0.0486","0.0356","","","0.0965","0.1034","","","","","","1.05","","","","has coordinates,has disorder","233796","2020-10-21","18:00:00",""
"7235970","17.6138","0.0003","17.4519","0.0003","19.6556","0.0005","90","","90","","90","","6042","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49.2 H76.4 Cl2 N4 Ni4 O30 -","- C49.2 H72.8 Cl2 N4 Ni4 O30 -","- C196.8 H291.2 Cl8 N16 Ni16 O120 -","4","0.5","","Giri, Gopal C.; Patra, Ayan; Vijaykumar, Gonela; Carrella, Luca; Bera, Manindranath","Hydrolytically active tetranuclear [NiII2]2 complexes: synthesis, structure, spectroscopy and phosphoester hydrolysis","RSC Advances","2015","5","120","99270","","10.1039/C5RA16555E","","","1.54184","CuKα","","0.0637","0.0587","","","0.1609","0.1673","","","","","","1.046","","","","has coordinates,has disorder","233796","2020-10-21","18:00:00",""
"7235971","7.8815","0.0002","18.8766","0.0005","8.5933","0.0002","90","","95.499","0.001","90","","1272.59","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 Ni -","- C13 H14 Cl N3 Ni -","- C52 H56 Cl4 N12 Ni4 -","4","1","","Pinheiro, A. C.; Virgili, A. H.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, O. L.","Ni(ii) complexes bearing pyrrolide-imine ligands with pendant N-, O- and S-donor groups: synthesis, structural characterization and use in ethylene oligomerization","RSC Advances","2015","5","111","91524","","10.1039/C5RA16782E","","x-ray","0.71073","MoKα","","0.0305","0.024","","","0.0534","0.0565","","","","","","1.031","","","","has coordinates","233798","2020-10-21","18:00:00",""
"7235972","10.86","0.005","11.654","0.005","11.196","0.005","90","","108.693","0.008","90","","1342.2","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H N O -","- C2.07407 H2.07407 N0.148148 O0.592593 -","- C56 H56 N4 O16 -","27","6.75","","Yan, Jianwei; Ni, Tianjun; Yan, Fulin; Zhang, Jixia; Zhuang, Fangfang","Friedel‒Crafts reaction of indoles with vicinal tricarbonyl compounds generated in situ from 1,3-dicarbonyl compounds and TEMPO: highly selective synthesis of tertiary alcohols","RSC Advances","2015","5","109","89906","","10.1039/C5RA17383C","","","0.71073","MoKα","","0.0847","0.0622","","","0.1854","0.2104","","","","","","1.057","","","","has coordinates","233799","2020-10-21","18:00:00",""
"7235973","8.5087","0.0008","10.5551","0.001","10.9292","0.0011","101.832","0.005","90.563","0.005","111.879","0.005","887.47","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 Cl2 N3 O2 S -","- C19 H11 Cl2 N3 O2 S -","- C38 H22 Cl4 N6 O4 S2 -","2","1","","Viveka, Shivapura; Dinesha, Dinesha; Shama, Prasanna; Naveen, Shivalingegowda; Lokanath, Neratur Krishnappagowda; Nagaraja, Gundibasappa Karikannar","Design, synthesis, anticonvulsant and analgesic studies of new pyrazole analogues: a Knoevenagel reaction approach","RSC Advances","2015","5","115","94786","","10.1039/C5RA17391D","","","1.54178","CuKα","","0.0593","0.0499","","","0.1373","0.1497","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235974","7.7265","0.0007","7.7446","0.0007","16.6941","0.0015","102.946","0.001","93.552","0.001","92.329","0.001","970.16","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 B F2 N2 -","- C10 H9 B F2 N2 -","- C40 H36 B4 F8 N8 -","4","2","","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","","0.07","0.0454","","","0.1221","0.1379","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235975","10.926","0.0009","12.1904","0.001","13.1824","0.0011","103.996","0.001","99.116","0.001","90.038","0.001","1680.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 B F2 N2 -","- C17 H23 B F2 N2 -","- C68 H92 B4 F8 N8 -","4","2","","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","","0.0719","0.0462","","","0.1135","0.1293","","","","","","0.988","","","","has coordinates","233802","2020-10-21","18:00:00",""
"7235976","16.054","0.002","12.6204","0.0019","13.685","0.003","90","","120.228","0.001","90","","2395.7","0.7","293","2","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H26 B2 F4 N4 -","- C24 H26 B2 F4 N4 -","- C96 H104 B8 F16 N16 -","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","","","0.71","MoKα","","0.0558","0.0373","","","0.0872","0.0987","","","","","","1.01","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"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","301866","2025-08-22","21:38:31",""
"7235978","9.324","0.005","12.9","0.007","18.496","0.01","106.65","0.008","94.335","0.008","91.856","0.007","2122","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Ir N7 O2 S2 -","- C40 H36 Ir N7 O2 S2 -","- C80 H72 Ir2 N14 O4 S4 -","2","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0388","0.0307","","","0.0633","0.0653","","","","","","0.965","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235979","14.908","0.003","14.425","0.003","23.345","0.005","90","","94.332","0.004","90","","5006","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 Ir N7 O2 S2 -","- C54 H36 Ir N7 O2 S2 -","- C216 H144 Ir4 N28 O8 S8 -","4","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0412","0.0293","","","0.0691","0.0722","","","","","","1.017","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235980","27.554","0.013","17.381","0.008","23.473","0.011","90","","122.764","0.007","90","","9453","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Ir N5 O4 S2 -","- C46 H34 Ir N5 O4 S2 -","- C368 H272 Ir8 N40 O32 S16 -","8","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0368","0.0267","","","0.0636","0.0662","","","","","","1.05","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235981","11.3735","0.0011","12.2222","0.0011","21.987","0.002","90","","93.385","0.001","90","","3051.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir1","","","- C30 H18 Ir N5 O2 S2 -","- C30 H18 Ir N5 O2 S2 -","- C120 H72 Ir4 N20 O8 S8 -","4","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0399","0.026","","","0.0565","0.0595","","","","","","1.017","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235982","7.201","0.003","10.323","0.004","7.211","0.002","90","","96.096","0.007","90","","533","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C24 H18 N2 O10 -","2","1","","Cui, L.-Y.; Wang, Y.-H.; Chen, S.-R.; Wang, Y.-M.; Zhou, Z.-H.","Stereocontrolled construction of 3H-furo[3,4-b]chromen-1(9H)-one scaffolds via organocatalyzed Michael addition and the following intramolecular dehydration","RSC Advances","2015","5","107","88133","","10.1039/C5RA17503H","","","1.54187","CuKα","","0.0293","0.0284","","","0.0757","0.0764","","","","","","1.124","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235983","9.007","0.004","13.691","0.004","11.577","0.004","90","","112.637","0.001","90","","1317.6","0.8","173","2","173","2","","","","","","","Fidalrestat,Sorbinil,Catechln and so on","4","P 1 21 1","P 2yb","4","NO","(2R,3R,4R)-3'-Methyl-4-(nitromethyl)-1',2-diphenyl spiro[chroman-3,4'-pyrazol]-5'(1'H)-one","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C58 H62 N6 O10 -","2","1","","Zheng, Weiping; Zhang, Jiayong; Liu, Shuang; Yu, Chengbin; Miao, Zhiwei","Asymmetric synthesis of spiro[chroman-3,3′-pyrazol] scaffolds with an all-carbon quaternary stereocenter via a oxa-Michael–Michael cascade strategy with bifunctional amine-thiourea organocatalysts","RSC Advances","2015","5","111","91108","","10.1039/C5RA17792H","","","1.54187","CuKα","","0.0312","0.0309","","","0.0837","0.084","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235984","12.346","0.005","7.136","0.003","20.348","0.007","90","","105.843","0.017","90","","1724.6","1.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H52 N2 O8 -","- C35 H52 N2 O8 -","- C70 H104 N4 O16 -","2","1","","Maity, Mitasree; Sajisha, Valiparambil Sanjayan; Maitra, Uday","Hydrogelation of bile acid‒peptide conjugates and in situ synthesis of silver and gold nanoparticles in the hydrogel matrix","RSC Advances","2015","5","110","90712","","10.1039/C5RA17917C","","x-ray","0.71073","MoKα","","0.1652","0.0894","","","0.213","0.2445","","","","","","0.997","","","","has coordinates","233809","2020-10-21","18:00:00",""
"7235985","18.75","0.002","6.8019","0.0009","15.436","0.002","90","","94.233","0.007","90","","1963.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","- C96 H72 Br4 N8 O4 -","4","1","","Vinay Kumar, Koravangala S.; Lingaraju, Gejjalagere S.; Bommegowda, Yadaganahalli K.; Vinayaka, Ajjampura C.; Bhat, Pritesh; Pradeepa Kumara, Challanayakanahally S.; Rangappa, Kanchugarakoppal S.; Gowda, D. Channe; Sadashiva, Maralinganadoddi P.","Synthesis, antimalarial activity, and target binding of dibenzazepine-tethered isoxazolines","RSC Advances","2015","5","110","90408","","10.1039/C5RA17926B","","","1.54178","CuKα","","0.0978","0.0845","","","0.2246","0.2364","","","","","","1.029","","","","has coordinates","233811","2020-10-21","18:00:00",""
"7235986","11.2426","0.0007","11.7373","0.0007","19.2267","0.0011","90.0723","0.0014","94.1057","0.0016","93.7531","0.0015","2525.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H79 Al3 N2 O5 Si -","- C48 H79 Al3 N2 O5 Si -","- C96 H158 Al6 N4 O10 Si2 -","2","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0843","0.0552","","","0.1215","0.1369","","","","","","1.047","","","","has coordinates,has disorder","233813","2020-10-21","18:00:00",""
"7235987","12.0415","0.0005","14.6863","0.0007","15.6828","0.0007","66.119","0.001","68.027","0.001","87.277","0.001","2334.03","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H144 Al2 Li2 N4 O13 Si2 -","- C85.992 H143.984 Al2 Li2 N4 O12.998 Si2 -","- C85.992 H143.984 Al2 Li2 N4 O12.998 Si2 -","1","0.5","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.068","0.0513","","","0.137","0.1489","","","","","","1.031","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235988","11.569","0.001","23.28","0.002","17.56","0.002","90","","95.63","0.01","90","","4706.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H74 Al2 N2 O6 Si -","- C43 H74 Al2 N2 O6 Si -","- C172 H296 Al8 N8 O24 Si4 -","4","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0631","0.0471","","","0.1065","0.1149","","","","","","1.026","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235989","12.3921","0.0003","17.0679","0.0005","20.9414","0.0006","90","","90","","90","","4429.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H70 Al2 N2 O6 Si -","- C42 H70 Al2 N2 O6 Si -","- C168 H280 Al8 N8 O24 Si4 -","4","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0546","0.0434","","","0.0914","0.0981","","","","","","1.023","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235990","22.0822","0.0003","11.9421","0.0001","46.3436","0.0006","90","","103.718","0.001","90","","11872.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56.25 H94 Al4 N2 O5 Si -","- C56.25 H94 Al4 N2 O5 Si -","- C450 H752 Al32 N16 O40 Si8 -","8","2","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","1.54178","CuKα","","0.0493","0.0419","","","0.1084","0.1137","","","","","","1.026","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235991","10.899","0.002","12.289","0.003","19.083","0.003","71.71","0.03","88.35","0.03","63.76","0.02","2158.5","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H66 Al Ga N2 O5 Si -","- C39 H66 Al Ga N2 O5 Si -","- C78 H132 Al2 Ga2 N4 O10 Si2 -","2","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0722","0.0503","","","0.1102","0.12","","","","","","1.014","","","","has coordinates","233815","2020-10-21","18:00:00",""
"7235992","11.236","0.001","22.588","0.002","22.603","0.002","60.545","0.001","83.87","0.001","77.316","0.001","4873.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H75 Al Ga2 N2 O5 Si -","- C44.5 H75 Al Ga2 N2 O5 Si -","- C178 H300 Al4 Ga8 N8 O20 Si4 -","4","2","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0783","0.0638","","","0.1671","0.1748","","","","","","1.104","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235993","12.348","0.001","22.49","0.002","16.843","0.002","90","","110.51","0.02","90","","4380.9","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79.36 H130.72 Al2 N4 O10.84 Si2 Zn3 -","- C79.36 H130.72 Al2 N4 O10.84 Si2 Zn3 -","- C158.72 H261.44 Al4 N8 O21.68 Si4 Zn6 -","2","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0619","0.0456","","","0.0924","0.0992","","","","","","0.993","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235994","23.675","0.003","29.299","0.004","34.539","0.004","90","","90","","90","","23958","5","200","2","200","","","","","","","","","5","A c a a :2","-A 2ab 2b","68","","","","- C54 H32 Cl18 Cu N4 -","- C54 H32 Cl18 Cu N4 -","- C864 H512 Cl288 Cu16 N64 -","16","1","","Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay","Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks","RSC Advances","2015","5","102","84134","","10.1039/C5RA18499A","","","0.71073","MoKα","","0.2173","0.0857","","","0.2286","0.3088","","","","","","1.016","","","","has coordinates","233818","2020-10-21","18:00:00",""
"7235995","23.717","0.004","29.432","0.005","34.422","0.006","90","","90","","90","","24028","7","200","2","200","","","","","","","","","5","A c a a :2","-A 2ab 2b","68","","","","- C54 H32 Cl18 Mn N4 -","- C54 H32 Cl18 Mn N4 -","- C864 H512 Cl288 Mn16 N64 -","16","1","","Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay","Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks","RSC Advances","2015","5","102","84134","","10.1039/C5RA18499A","","","0.71073","MoKα","","0.162","0.0875","","","0.2384","0.2856","","","","","","1.031","","","","has coordinates","233818","2020-10-21","18:00:00",""
"7235996","14.5708","0.0013","12.2088","0.0012","17.3624","0.0017","90","","90.061","0.002","90","","3088.6","0.5","200","2","200","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62.54 H63.32 Cl2 Mn N4 -","- C62.54 H63.32 Cl2 Mn N4 -","- C125.08 H126.64 Cl4 Mn2 N8 -","2","0.5","","Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay","Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks","RSC Advances","2015","5","102","84134","","10.1039/C5RA18499A","","","0.71073","MoKα","","0.0843","0.0522","","","0.17","0.1908","","","","","","1.098","","","","has coordinates,has disorder","233818","2020-10-21","18:00:00",""
"7235997","22.4406","0.0002","37.5572","0.0003","23.51115","0.00019","90","","90","","90","","19815.3","0.3","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C105 H83.5 B Cu3 F4 N4 O6 P6 -","- C105 H83.43 B Cu3 F4 N4 O6 P6 -","- C840 H667.44 B8 Cu24 F32 N32 O48 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.0771","0.0733","","","0.1948","0.1972","","","","","","1.091","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7235998","37.5964","0.0004","22.4534","0.0003","23.4691","0.0002","90","","90","","90","","19811.8","0.4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C105 H84 Cl Cu3 N4 O10 P6 -","- C105 H84 Cl Cu3 N4 O10 P6 -","- C840 H672 Cl8 Cu24 N32 O80 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0685","0.0604","","","0.1454","0.1496","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235999","37.4996","0.0002","22.3071","0.0001","23.6473","0.0001","90","","90","","90","","19781.1","0.16","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C216 H177 Cu6 F12 N11 O12 P14 -","- C216 H177 Cu6 F12 N11 O12 P14 -","- C864 H708 Cu24 F48 N44 O48 P56 -","4","0.5","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0743","0.0699","","","0.2008","0.205","","","","","","1.088","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7236000","29.9632","0.0004","22.3042","0.0003","30.6835","0.0004","90","","101.174","0.001","90","","20117.2","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C107 H84 B Cu3 F10 N2 O2 P6 -","- C107 H84 B Cu3 F10 N2 O2 P6 -","- C856 H672 B8 Cu24 F80 N16 O16 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0482","0.0412","","","0.1085","0.1133","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236001","27.5828","0.0002","28.8914","0.0002","24.54769","0.00019","90","","103.705","0.0008","90","","19005.2","0.2","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C420 H343 B4 Cu12 F16 N8 O8 P24 -","- C420 H343 B4 Cu12 F16 N8 O8 P24 -","- C840 H686 B8 Cu24 F32 N16 O16 P48 -","2","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.0416","0.0392","","","0.1005","0.1028","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236002","22.36838","0.00019","34.9812","0.0003","25.4082","0.0002","90","","90.3117","0.0008","90","","19880.9","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C107 H90 B Cu3 F4 N2 O4 P6 -","- C107 H90 B Cu3 F4 N2 O4 P6 -","- C856 H720 B8 Cu24 F32 N16 O32 P48 -","8","2","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.1258","0.1195","","","0.3058","0.3089","","","","","","1.066","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7236003","17.9069","0.0001","23.0779","0.0002","27.5279","0.0003","90","","104.656","0.001","90","","11005.9","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H90 Cu3 F N2 O4 P6 -","- C107 H90 Cu3 F N2 O4 P6 -","- C428 H360 Cu12 F4 N8 O16 P24 -","4","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0497","0.0444","","","0.1233","0.1278","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236004","9.6471","0.001","10.6608","0.0011","10.4107","0.001","90","","93.64","0.005","90","","1068.54","0.19","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Gabr, Moustafa T.; Pigge, F. Christopher","Synthesis and aggregation-induced emission properties of pyridine and pyridinium analogues of tetraphenylethylene","RSC Advances","2015","5","110","90226","","10.1039/C5RA18724A","","","0.71073","MoKα","","0.0525","0.0448","","","0.1067","0.1134","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236005","9.0727","0.0009","9.4508","0.0009","11.5627","0.0012","68.944","0.005","80.486","0.005","86.159","0.005","912.48","0.16","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Gabr, Moustafa T.; Pigge, F. Christopher","Synthesis and aggregation-induced emission properties of pyridine and pyridinium analogues of tetraphenylethylene","RSC Advances","2015","5","110","90226","","10.1039/C5RA18724A","","","0.71073","MoKα","","0.1284","0.0577","","","0.1292","0.1653","","","","","","0.925","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236006","16.7806","0.0006","16.7806","0.0006","12.2501","0.0013","90","","90","","90","","3449.5","0.4","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C56 H91 N13 Ni2 O17 -","- C53 H68 N12 Ni2 O8 -","- C106 H136 N24 Ni4 O16 -","2","0.25","","Jiang, Xiang; Kou, Hui-Zhong","Toward a robust porous coordination polymer: the inhibition of mutual movement between interpenetrating sub-networks by introduction of multiple C‒H⋯π interactions","RSC Advances","2015","5","108","89052","","10.1039/C5RA18848B","","","0.71073","MoKα","","0.07","0.0438","","","0.0901","0.0988","","","","","","0.983","","","","has coordinates","233826","2020-10-21","18:00:00",""
"7236007","17.173","0.005","17.173","0.005","11.406","0.005","90","","90","","90","","3364","2","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C57 H96 N12 Ni2 O18 -","- C57 H76 N12 Ni2 O18 -","- C114 H152 N24 Ni4 O36 -","2","0.25","","Jiang, Xiang; Kou, Hui-Zhong","Toward a robust porous coordination polymer: the inhibition of mutual movement between interpenetrating sub-networks by introduction of multiple C‒H⋯π interactions","RSC Advances","2015","5","108","89052","","10.1039/C5RA18848B","","","0.71073","MoKα","","0.0775","0.0546","","","0.1452","0.159","","","","","","1.064","","","","has coordinates","233826","2020-10-21","18:00:00",""
"7236008","6.6494","0.0002","9.5276","0.0004","32.1006","0.0013","90","","90","","90","","2033.66","0.13","296","2","296","2","","","","","","","Synthesised","6","P b c a","-P 2ac 2ab","61","3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione","3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione","","- C9 H8 F N O S2 -","- C9 H8 F N O S2 -","- C72 H64 F8 N8 O8 S16 -","8","1","","Kumar, Sundaravel Vivek; Muthusubramanian, Shanmugam; Perumal, Subbu","A solvent- and catalyst-free domino reaction for the efficient synthesis of 3-arylthiazolidine-2-thiones under microwave irradiation","RSC Advances","2015","5","110","90451","","10.1039/C5RA19112B","","","0.71073","MoKα","","0.0501","0.0467","","","0.1577","0.1629","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236009","8.798","0.004","10.031","0.005","17.925","0.004","90","","94.2","0.03","90","","1577.7","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3Ba","1-(tert-Butyl)-1,4-dihydro-3,5-dinitro-4-(4-methylphenyl)pyridine","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C64 H76 N12 O16 -","4","1","","Asahara, Haruyasu; Hamada, Mai; Nakaike, Yumi; Nishiwaki, Nagatoshi","Construction of 3,5-dinitrated 1,4-dihydropyridines modifiable at 1,4-positions by a reaction of β-formyl-β-nitroenamines with aldehydes","RSC Advances","2015","5","110","90778","","10.1039/C5RA19439C","","","0.71069","MoKα","","","0.0737","","","","0.2878","","","","","","0.973","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236010","6.9329","0.001","12.2785","0.0018","19.091","0.003","90","","98.079","0.005","90","","1609","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O8 S -","- C14 H19 N O8 S -","- C56 H76 N4 O32 S4 -","4","1","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.1272","0.0576","","","0.0924","0.1102","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236011","8.599","0.005","14.399","0.005","12.598","0.005","90","0.005","96.196","0.005","90","0.005","1550.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cu N O7 S -","- C14 H15 Cu N O7 S -","- C56 H60 Cu4 N4 O28 S4 -","4","1","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71069","MoKα","","0.0686","0.0439","","","0.0966","0.1049","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236012","7.9237","0.0002","11.2344","0.0004","16.0644","0.0005","103.893","0.001","96.378","0.002","94.347","0.001","1371.79","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cu N4 O7 S -","- C27 H28 Cu N4 O7 S -","- C54 H56 Cu2 N8 O14 S2 -","2","1","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.0563","0.0414","","","0.1034","0.1125","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236013","8.149","0.002","16.476","0.005","13.478","0.004","90","","94.476","0.01","90","","1804.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cu2 N4 O10 S2 -","- C38 H32 Cu2 N4 O10 S2 -","- C76 H64 Cu4 N8 O20 S4 -","2","0.5","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.0731","0.0432","","","0.0807","0.0886","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236014","7.7522","0.001","17.119","0.002","13.2121","0.0014","90","","92.839","0.004","90","","1751.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cu2 N2 O14 S2 -","- C32 H38 Cu2 N2 O14 S2 -","- C64 H76 Cu4 N4 O28 S4 -","2","0.5","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.0357","0.0321","","","0.0796","0.0816","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236015","8.19022","0.00013","11.07458","0.00014","12.09766","0.00018","90","","92.6837","0.0013","90","","1096.09","0.03","294","2","294","2","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","2-quinolinealdehyde selenosemicarbazone","2-quinolinealdehyde selenosemicarbazone","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Marinković, Aleksandar; Verbić, Tatjana Ž.; Cvijetić, Ilija N.; Senćanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara R.; Muller, Christian D.","Zn(ii) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and -9 independent apoptose induction","RSC Advances","2015","5","115","95191","","10.1039/C5RA19849F","","x-ray","0.71073","MoKα","","0.0344","0.0246","","","0.0753","0.1035","","","","","","1.206","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236016","11.14856","0.00017","13.8814","0.00018","20.8541","0.0003","90","","98.519","0.0015","90","","3191.72","0.08","294","2","294","2","","","","","","","synthetic","7","P 1 21/c 1","-P 2ybc","14","bis(2-quinolinealdehyde selenosemicarbazone)zinc(II) perchlorate ethanol solvate","bis(2-quinolinealdehyde selenosemicarbazone)zinc(II) perchlorate ethanol solvate","","- C24 H26 Cl2 N8 O9 Se2 Zn -","- C24 H26 Cl2 N8 O9 Se2 Zn -","- C96 H104 Cl8 N32 O36 Se8 Zn4 -","4","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Marinković, Aleksandar; Verbić, Tatjana Ž.; Cvijetić, Ilija N.; Senćanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara R.; Muller, Christian D.","Zn(ii) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and -9 independent apoptose induction","RSC Advances","2015","5","115","95191","","10.1039/C5RA19849F","","x-ray","0.71073","MoKα","","0.0515","0.0374","","","0.1021","0.1089","","","","","","1.072","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236017","24.8641","0.0012","6.0228","0.0003","18.6609","0.001","90","","97.811","0.005","90","","2768.6","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","Bis(3N-triazolyl)copper(I) tetrafluoroborate","","- C30 H26 B Cu F4 N6 -","- C30 H26 B Cu F4 N6 -","- C120 H104 B4 Cu4 F16 N24 -","4","0.5","","Qiu, Ran; Luo, Hai","Copper(i)–triazole dimer formation and rate acceleration in in-source click reaction","RSC Advances","2015","5","116","96213","","10.1039/C5RA19855K","","x-ray","0.7107","MoKα","","0.0717","0.0561","","","0.1369","0.1482","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236018","14.4111","0.0013","7.9952","0.0007","17.4713","0.0014","90","","111.02","0.004","90","","1879.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Sharma, Shivangi; Naganaboina, Ram Tilak; Peddinti, Rama Krishna","Expedient synthesis of nitrovinyl substituted bicyclo[2.2.2]octenone scaffolds","RSC Advances","2015","5","121","100060","","10.1039/C5RA20016D","","","0.71073","MoKα","","0.0487","0.0366","","","0.1147","0.1351","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236019","12.163","0.003","13.716","0.003","18.215","0.004","105.644","0.002","94.048","0.002","115.759","0.002","2572.9","1","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C46.5 H41 Cl7 F6 N7 O6 P Ru -","- C46.5 H41 Cl7 F6 N7 O6 P Ru -","- C93 H82 Cl14 F12 N14 O12 P2 Ru2 -","2","1","","Shao, Jiang-Yang; Fu, Nianqing; Yang, Wen-Wen; Zhang, Chun-Yu; Zhong, Yu-Wu; Lin, Yuan; Yao, Jiannian","Cyclometalated ruthenium(ii) complexes with bis(benzimidazolyl)benzene for dye-sensitized solar cells","RSC Advances","2015","5","109","90001","","10.1039/C5RA20294A","","","0.71073","MoKα","","0.0736","0.0688","","","0.1717","0.1754","","","","","","1.114","","","","has coordinates,has disorder","233840","2020-10-21","18:00:00",""
"7236020","9.085","0.0006","10.9979","0.0009","14.9786","0.0011","90","","120.245","0.005","90","","1292.88","0.18","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","alotsndipir","TsiPrAlMe2?THF","","- C25 H38 Al N O3 S -","- C25 H38 Al N O3 S -","- C50 H76 Al2 N2 O6 S2 -","2","1","","Tseng, Hsi-Ching; Chen, Fu-Shen; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yu-Hsieh; Lai, Yi-Chun; Chen, Hsuan-Ying","Optimizing ring-opening polymerization of ε-caprolactone by using aluminum complexes bearing amide as catalysts and their application in synthesizing poly-ε-caprolactone with special initiators and other polycycloesters","RSC Advances","2015","5","110","90682","","10.1039/C5RA21252A","","","0.71073","MoKα","","0.0893","0.0681","","","0.1406","0.1555","","","","","","1.027","","","","has coordinates,has disorder","233843","2020-10-21","18:00:00",""
"7236021","10.3364","0.0004","24.8372","0.0007","16.7958","0.0005","90","","98.284","0.003","90","","4266.9","0.2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cl4 F6 N2 P Sb -","- C40 H48 Cl4 F6 N2 P Sb -","- C160 H192 Cl16 F24 N8 P4 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","","0.0721","0.0375","","","0.0742","0.0784","","","","","","0.84","","","","has coordinates,has disorder","233844","2020-10-21","18:00:00",""
"7236022","12.2715","0.0012","12.4401","0.0009","15.1691","0.001","80.778","0.006","71.653","0.008","70.246","0.008","2064.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 Cl6 F6 N2 P Sb -","- C34 H34 Cl6 F6 N2 P Sb -","- C68 H68 Cl12 F12 N4 P2 Sb2 -","2","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","","","1.54184","CuKα","","0.0698","0.0611","","","0.1489","0.1521","","","","","","0.973","","","","has coordinates,has disorder","233844","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",""
"7236024","15.136","0.002","10.038","0.002","15.178","0.003","90","","100.706","0.004","90","","2265.9","0.7","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H27 F N Sb -","- C25 H27 F N Sb -","- C100 H108 F4 N4 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","","0.022","0.0215","","","0.0499","0.0501","","","","","","1.077","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236025","9.1371","0.0008","8.076","0.0007","24.949","0.002","90","","95.549","0.002","90","","1832.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 F N2 Sb -","- C18 H24 F N2 Sb -","- C72 H96 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","","0.0698","0.063","","","0.1085","0.1115","","","","","","1.251","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236026","11.3139","0.0008","8.1198","0.0006","15.85","0.0012","90","","101.487","0.001","90","","1426.92","0.18","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 F N Sb -","- C15 H17 F N Sb -","- C60 H68 F4 N4 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","","0.0302","0.0281","","","0.0633","0.0645","","","","","","1.146","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236028","9.8058","0.0002","15.44","0.0003","16.9339","0.0003","64.933","0.001","83.409","0.001","88.318","0.001","2306.46","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","2","","Reddy, M. Guruprasad; Lobo, Nitin P.; Varathan, E.; Easwaramoorthi, S.; Narasimhaswamy, T.","Intramolecular charge transfer interactions and molecular order of rod like mesogens","RSC Advances","2015","5","127","105066","","10.1039/C5RA22261C","","","0.71073","MoKα","","0.1539","0.051","","","0.1038","0.1445","","","","","","0.927","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236346","18.542","0.001","18.542","0.001","37.5167","0.0018","90","","90","","120","","11170.4","1","123","","123","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C10 H7 Cu N O5 -","- C10 H7 Cu N O5 -","- C180 H126 Cu18 N18 O90 -","18","0.5","","Zhang, Mingxing; Chen, Cong; Wang, Qian; Fu, Wensheng; Huang, Kunlin; Zhou, Wei","A metal‒organic framework functionalized with piperazine exhibiting enhanced CH4 storage","Journal of Materials Chemistry A","2017","5","1","349","","10.1039/C6TA06037D","","","0.71073","MoKα","","0.0955","0.0803","","","0.2415","0.252","","","","","","1.081","","","","has coordinates,has disorder","235431","2020-10-21","18:00:00",""
"7236355","23.0299","0.0011","23.0299","0.0011","24.3973","0.0016","90","","90","","90","","12939.7","1.2","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Cobalt acetato 4-(1H-Imidazol-1-yl) benzoate","'Cobalt acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C384 H320 Co32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1576","0.0727","","","0.1685","0.2015","","","","","","0.997","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236356","23.61","0.0007","23.61","0.0007","25.085","0.0007","90","","90","","90","","13983.2","0.7","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Mg N3 O4 -","- C11 H9 Mg N3 O4 -","- C352 H288 Mg32 N96 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1059","0.0912","","","0.242","0.2523","","","","","","1.123","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236357","23.3159","0.0016","23.3159","0.0016","24.8737","0.0019","90","","90","","90","","13522.1","1.7","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Mn N4 O3 -","- C11 H9 Mn N4 O3 -","- C352 H288 Mn32 N128 O96 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1191","0.0687","","","0.1523","0.174","","","","","","0.966","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236358","23.1995","0.0006","23.1995","0.0006","24.6012","0.0006","90","","90","","90","","13240.8","0.6","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Cobalt acetato 4-(1H-1,2,4-triazol-1-yl)benzoate","'Cobalt acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'","","- C11 H9 Co N3 O4 -","- C11 H9 Co N3 O4 -","- C352 H288 Co32 N96 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.0629","0.0558","","","0.1504","0.1564","","","","","","1.081","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236359","22.889","0.003","22.889","0.003","24.907","0.003","90","","90","","90","","13049","3","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Mnganese acetato 4-(1H-Imidazol-1-yl) benzoate","'Mnganese acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Mn N2 O4 -","- C12 H10 Mn N2 O4 -","- C384 H320 Mn32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.1976","0.1016","","","0.2334","0.2792","","","","","","0.955","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236360","23.3323","0.0007","23.3323","0.0007","24.814","0.0008","90","","90","","90","","13508.6","0.7","173","2","173","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Magnesium acetato 4-(1H-Imidazol-1-yl) benzoate","'Magnesium acetato 4-(1H-Imidazol-1-yl) benzoate'","","- C12 H10 Mg N2 O4 -","- C12 H10 Mg N2 O4 -","- C384 H320 Mg32 N64 O128 -","32","1","","Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan","Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture","Journal of Materials Chemistry A","2017","5","2","535","","10.1039/C6TA07145G","","","1.54178","CuKα","","0.067","0.0542","","","0.1385","0.1451","","","","","","1.034","","","","has coordinates","235446","2020-10-21","18:00:00",""
"7236361","9.771","0.002","7.06","0.0014","23.868","0.005","90","","97.28","0.03","90","","1633.2","0.6","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 N17 O5 -","- C6 H17 N17 O5 -","- C24 H68 N68 O20 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236362","8.8823","0.0018","10.952","0.002","11.675","0.002","90","","107.38","0.03","90","","1083.9","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 K N9 O6 -","- C5 H2 K N9 O6 -","- C20 H8 K4 N36 O24 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.0692","0.0625","","","0.1855","0.2025","","","","","","1.273","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236363","6.2881","0.0005","9.3424","0.0008","11.2935","0.0011","87.455","0.008","79.856","0.008","82.934","0.007","647.94","0.1","102.1","","102.1","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 N15 O4 -","- C6 H9 N15 O4 -","- C12 H18 N30 O8 -","2","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.7107","MoKα","","0.0586","0.0462","","","0.1041","0.1154","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236364","4.7451","0.0009","7.1473","0.0014","27.902","0.006","90","","90.22","0.03","90","","946.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N9 O5 -","- C4 H5 N9 O5 -","- C16 H20 N36 O20 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.092","0.0738","","","0.1968","0.2338","","","","","","1.179","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236365","10.035","0.002","6.9626","0.0014","16.699","0.003","90","","91.6","0.03","90","","1166.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","- C16 H40 N40 O24 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.0563","0.0466","","","0.1189","0.1348","","","","","","1.211","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236366","9.3074","0.0019","10.844","0.002","18.529","0.004","90","","90","","90","","1870.1","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br F3 N2 O4 -","- C19 H16 Br F3 N2 O4 -","- C76 H64 Br4 F12 N8 O16 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.0399","0.0366","","","0.1061","0.1263","","","","","","1.205","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236367","17.0993","0.0014","17.0993","0.0014","17.0993","0.0014","90","","90","","90","","4999.6","0.7","298","2","298","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Zn/Co-ZIF","","- C48 H60 Co3 N24 Zn3 -","- C48 H60 Co3 N24 Zn3 -","- C96 H120 Co6 N48 Zn6 -","2","0.0416667","","Zhou, Kui; Mousavi, Bibimaryam; Luo, Zhixiong; Phatanasri, Shophot; Chaemchuen, Somboon; Verpoort, Francis","Characterization and properties of Zn/Co zeolitic imidazolate frameworks vs. ZIF-8 and ZIF-67","Journal of Materials Chemistry A","2017","5","3","952","","10.1039/C6TA07860E","","","0.71073","MoKα","","0.0309","0.0295","","","0.0761","0.0772","","","","","","1.117","","","","has coordinates,has disorder","235450","2020-10-21","18:00:00",""
"7236371","17.0656","0.0018","6.8365","0.0008","19.3505","0.0016","90","","93.333","0.009","90","","2253.8","0.4","105.5","","105.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 K N9 O6 -","- C4 H6 K N9 O6 -","- C32 H48 K8 N72 O48 -","8","2","","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","","0.1003","0.0776","","","0.1851","0.2002","","","","","","1.087","","","","has coordinates,has disorder","235457","2020-10-21","18:00:00",""
"7236372","4.7451","0.0009","7.1473","0.0014","27.902","0.006","90","","90.22","0.03","90","","946.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N9 O5 -","- C4 H5 N9 O5 -","- C16 H20 N36 O20 -","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","","","0.71073","MoKα","","0.092","0.0738","","","0.1968","0.2338","","","","","","1.179","","","","has coordinates","235457","2020-10-21","18:00:00",""
"7236373","10.035","0.002","6.9626","0.0014","16.699","0.003","90","","91.6","0.03","90","","1166.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","- C16 H40 N40 O24 -","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","","","0.71073","MoKα","","0.0563","0.0466","","","0.1189","0.1348","","","","","","1.211","","","","has coordinates","235457","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","301866","2025-08-22","21:38:31",""
"7236375","9.2793","0.0005","5.8543","0.0002","20.6029","0.0008","90","","100.757","0.004","90","","1099.56","0.08","106.2","","106.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N9 Na O6 -","- C4 H6 N9 Na O6 -","- C16 H24 N36 Na4 O24 -","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","","0.0432","0.0353","","","0.0766","0.0815","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236376","8.018","0.005","14.816","0.005","17.908","0.005","90","0.005","100.175","0.005","90","0.005","2093.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cu2 N8 O18 S4 -","- C38 H28 Cu2 N8 O18 S4 -","- C76 H56 Cu4 N16 O36 S8 -","2","0.5","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Gu, Jing-Yang; Liu, Bai-Ling; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Su, Zhong-Min","Changes of coordination modes of Cu-based coordination complexes as tuneable proton-conducting solid electrolytes","Journal of Materials Chemistry A","2017","5","3","1085","","10.1039/C6TA08581D","","","0.71069","MoKα","","0.0685","0.0411","","","0.0908","0.1011","","","","","","1.017","","","","has coordinates","235460","2020-10-21","18:00:00",""
"7236377","28.561","0.005","9.43","0.005","13.827","0.005","90","0.005","90","0.005","90","0.005","3724","2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C38 H24 Cu N8 O13 S4 -","- C38 H22 Cu N8 O13 S4 -","- C152 H88 Cu4 N32 O52 S16 -","4","0.5","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Gu, Jing-Yang; Liu, Bai-Ling; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Su, Zhong-Min","Changes of coordination modes of Cu-based coordination complexes as tuneable proton-conducting solid electrolytes","Journal of Materials Chemistry A","2017","5","3","1085","","10.1039/C6TA08581D","","","0.71069","MoKα","","0.0485","0.0374","","","0.0963","0.1022","","","","","","1.034","","","","has coordinates","235460","2020-10-21","18:00:00",""
"7236378","9.688","0.005","13.529","0.005","15.76","0.005","90","0.005","104.136","0.005","90","0.005","2003.1","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl Cu N4 O7 S2 -","- C19 H12 Cl Cu N4 O7 S2 -","- C76 H48 Cl4 Cu4 N16 O28 S8 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Gu, Jing-Yang; Liu, Bai-Ling; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Su, Zhong-Min","Changes of coordination modes of Cu-based coordination complexes as tuneable proton-conducting solid electrolytes","Journal of Materials Chemistry A","2017","5","3","1085","","10.1039/C6TA08581D","","","0.71069","MoKα","","0.0518","0.034","","","0.0816","0.0885","","","","","","1.025","","","","has coordinates","235460","2020-10-21","18:00:00",""
"7236379","10.4224","0.0008","24.105","0.002","8.1188","0.0006","90","","104.085","0.005","90","","1978.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(HxN3)2-SiPc","bis(6-azohexylacrylate) silicon phthalocyanine","","- C44 H36 N14 O4 Si -","- C44 H36 N14 O4 Si -","- C88 H72 N28 O8 Si2 -","2","0.5","","Grant, Trevor M.; Gorisse, Therese; Dautel, Olivier; Wantz, Guillaume; Lessard, Benoît H.","Multifunctional ternary additive in bulk heterojunction OPV: increased device performance and stability","Journal of Materials Chemistry A","2017","5","4","1581","","10.1039/C6TA08593H","","","0.71073","MoKα","","0.0581","0.042","","","0.1043","0.1167","","","","","","1.03","","","","has coordinates","235462","2020-10-21","18:00:00",""
"7236389","21.4934","0.0005","21.4934","0.0005","21.4934","0.0005","90","","90","","90","","9929.2","0.4","100","0.1","100","0.1","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H17 Al3 N3 O17.5 -","- C24 H14.0001 Al3 N3 O17.5 -","- C192 H112.001 Al24 N24 O140 -","8","0.333333","","Belmabkhout, Youssef; Pillai, Renjith S.; Alezi, Dalal; Shekhah, Osama; Bhatt, Prashant M.; Chen, Zhijie; Adil, Karim; Vaesen, Sebastien; De Weireld, Guy; Pang, Maolin; Suetin, Mikhail; Cairns, Amy J.; Solovyeva, Vera; Shkurenko, Aleksander; El Tall, Omar; Maurin, Guillaume; Eddaoudi, Mohamed","Metal‒organic frameworks to satisfy gas upgrading demands: fine-tuning thesoc-MOF platform for the operative removal of H2S","Journal of Materials Chemistry A","2017","5","7","3293","","10.1039/C6TA09406F","","","1.54178","CuKα","","0.0344","0.0332","","","0.0892","0.0902","","","","","","1.021","","","","has coordinates","235468","2020-10-21","18:00:00",""
"7236390","16.951","0.005","23.303","0.005","27.845","0.005","90","","125.992","0.011","90","","8899","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag16 N27 Na O67 P2 W18 -","- C18 H18 Ag16 N27 Na O67 P2 W18 -","- C72 H72 Ag64 N108 Na4 O268 P8 W72 -","4","1","","Li, Mengting; Cong, Lina; Zhao, Jiao; Zheng, Tiantian; Tian, Rui; Sha, Jingquan; Su, Zhongmin; Wang, Xinlong","Self-organization towards complex multi-fold meso-helices in the structures of Wells‒Dawson polyoxometalate-based hybrid materials for lithium-ion batteries","Journal of Materials Chemistry A","2017","5","7","3371","","10.1039/C6TA09852E","","","0.71069","MoKα","","0.1804","0.0974","","","0.2484","0.3047","","","","","","1.058","","","","has coordinates","235470","2020-10-21","18:00:00",""
"7236391","15.025","0.005","15.036","0.005","28.658","0.005","85.652","0.005","86.867","0.005","77.497","0.005","6298","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H32 Ag26 N48 O66 P2 W18 -","- C32 H32 Ag26 N48 O66 P2 W18 -","- C64 H64 Ag52 N96 O132 P4 W36 -","2","1","","Li, Mengting; Cong, Lina; Zhao, Jiao; Zheng, Tiantian; Tian, Rui; Sha, Jingquan; Su, Zhongmin; Wang, Xinlong","Self-organization towards complex multi-fold meso-helices in the structures of Wells‒Dawson polyoxometalate-based hybrid materials for lithium-ion batteries","Journal of Materials Chemistry A","2017","5","7","3371","","10.1039/C6TA09852E","","","0.71069","MoKα","","0.1069","0.0633","","","0.1539","0.1767","","","","","","0.992","","","","has coordinates","235470","2020-10-21","18:00:00",""
"7236392","10.39","0.005","11.803","0.006","11.934","0.006","82.967","0.01","81.366","0.011","87.884","0.009","1435.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H76 Eu2 O47 P6 -","- C24 H34 Eu2 O47 P6 -","- C24 H34 Eu2 O47 P6 -","1","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Rapid and sensitive detection of nitroaromatic explosives by using new 3D lanthanide phosphonates","Journal of Materials Chemistry A","2017","5","5","1952","","10.1039/C6TA10152F","","","0.71073","MoKα","","0.0606","0.048","","","0.1042","0.1124","","","","","","1.082","","","","has coordinates","235472","2020-10-21","18:00:00",""
"7236393","10.35","0.02","11.94","0.03","12.75","0.03","104.97","0.04","90.47","0.02","93.06","0.03","1520","6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H76 La2 O47 P6 -","- C24 H34 La2 O47 P6 -","- C24 H34 La2 O47 P6 -","1","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Rapid and sensitive detection of nitroaromatic explosives by using new 3D lanthanide phosphonates","Journal of Materials Chemistry A","2017","5","5","1952","","10.1039/C6TA10152F","","","0.71073","MoKα","","0.1249","0.1099","","","0.3091","0.3246","","","","","","1.185","","","","has coordinates","235472","2020-10-21","18:00:00",""
"7236394","10.3912","0.001","11.8723","0.0004","11.879","0.0008","82.379","0.01","87.725","0.012","81.666","0.008","1436.89","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H76 Nd2 O47 P6 -","- C24 H34 Nd2 O47 P6 -","- C24 H34 Nd2 O47 P6 -","1","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Rapid and sensitive detection of nitroaromatic explosives by using new 3D lanthanide phosphonates","Journal of Materials Chemistry A","2017","5","5","1952","","10.1039/C6TA10152F","","","0.71073","MoKα","","0.0379","0.035","","","0.0927","0.0949","","","","","","1.049","","","","has coordinates","235472","2020-10-21","18:00:00",""
"7236395","27.799","0.003","19.3811","0.0019","19.24","0.002","90","","103.381","0.002","90","","10084.6","1.8","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H66 Cl3 F6 Mg3 N O13 S2 -","- C34 H66 Cl3 F6 Mg3 N O12.5 S2 -","- C272 H528 Cl24 F48 Mg24 N8 O100 S16 -","8","1","","Mandai, Toshihiko; Akita, Yasuhiro; Yagi, Shunsuke; Egashira, Minato; Munakata, Hirokazu; Kanamura, Kiyoshi","A key concept of utilization of both non-Grignard magnesium chloride and imide salts for rechargeable Mg battery electrolytes","Journal of Materials Chemistry A","2017","5","7","3152","","10.1039/C6TA10194A","","","0.71075","MoKα","","0.1012","0.0793","","","0.255","0.2786","","","","","","1.088","","","","has coordinates","235473","2020-10-21","18:00:00",""
"7236396","12.673","0.002","12.7426","0.0019","13.598","0.002","115.976","0.002","105.206","0.003","102.326","0.003","1763.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Mo N4 Ni O4.5 -","- C26 H28 Mo N4 Ni O4 -","- C52 H56 Mo2 N8 Ni2 O8 -","2","1","","Li, Xiao; Yang, Liu; Su, Tan; Wang, Xinlong; Sun, Chunyi; Su, Zhongmin","Graphene-coated hybrid electrocatalysts derived from bimetallic metal‒organic frameworks for efficient hydrogen generation","Journal of Materials Chemistry A","2017","5","10","5000","","10.1039/C6TA10405C","","","0.71073","MoKα","","0.0895","0.0503","","","0.1219","0.1375","","","","","","0.858","","","","has coordinates","235476","2020-10-21","18:00:00",""
"7236397","5.79","0.003","13.286","0.007","13.788","0.007","90","","90","","90","","1060.7","1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N6 O4 -","- C8 H6 N6 O4 -","- C32 H24 N24 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0644","0.04","","","0.0789","0.0845","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236398","12.78","0.002","7.1353","0.0012","11.0435","0.0018","90","","109.625","0.003","90","","948.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N7 O4 -","- C7 H5 N7 O4 -","- C28 H20 N28 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0711","0.0484","","","0.1082","0.1181","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236399","7.141","0.0007","8.315","0.0007","10.267","0.0012","84.165","0.008","73.123","0.01","66.337","0.009","534.25","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N6 O5 -","- C8 H6 N6 O5 -","- C16 H12 N12 O10 -","2","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.054","0.0469","","","0.1205","0.1297","","","","","","0.934","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236400","13.9435","0.0018","6.957","0.0006","12.8193","0.0011","90","","117.363","0.004","90","","1104.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N9 O4 -","- C7 H3 N9 O4 -","- C28 H12 N36 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0835","0.0712","","","0.196","0.2096","","","","","","1.117","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236401","8.162","0.007","12.424","0.011","9.201","0.008","90","","104.868","0.014","90","","901.8","1.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N5 O2 -","- C8 H7 N5 O2 -","- C32 H28 N20 O8 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0714","0.0433","","","0.1006","0.1105","","","","","","0.953","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236402","13.869","0.009","5.589","0.002","14.8","0.012","90","","117.46","0.09","90","","1018","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N6 O4 -","- C8 H6 N6 O4 -","- C32 H24 N24 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.1009","0.0639","","","0.1607","0.1992","","","","","","1.025","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236403","9.9081","0.0008","10.2255","0.0007","21.181","0.006","90","","90","","90","","2146","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N6 O5 -","- C8 H6 N6 O5 -","- C64 H48 N48 O40 -","8","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0878","0.0531","","","0.1148","0.1419","","","","","","1.06","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236404","7.2628","0.0003","10.5375","0.0004","13.5924","0.0005","90","","90","","90","","1040.25","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 N7 O6 -","- C7 H3 N7 O6 -","- C28 H12 N28 O24 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","1.54184","CuKα","","0.0524","0.0515","","","0.1542","0.1584","","","","","","1.097","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236405","71.027","0.005","9.0269","0.0007","13.8125","0.001","90","","100.138","0.002","90","","8717.7","1.1","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N6 O5 -","- C8 H6 N6 O5 -","- C256 H192 N192 O160 -","32","4","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.1239","0.0863","","","0.2279","0.2568","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236406","7.9223","0.0005","18.592","0.0011","7.561","0.0006","90","","98.73","0.002","90","","1100.77","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N8 O6 -","- C7 H3.987 N7.987 O6 -","- C28 H15.948 N31.948 O24 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0616","0.0489","","","0.1164","0.1229","","","","","","1.064","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236407","10.4051","0.0006","11.1819","0.0007","11.9261","0.0007","97.44","0.002","102.813","0.002","103.84","0.002","1289.11","0.13","147","2","147","2","","","","","","","","5","P -1","-P 1","2","(3BS)2-SiPc","bis(tributylsilane)-silicon phthalocyanine","","- C56 H70 N8 O2 Si3 -","- C56 H70 N8 O2 Si3 -","- C56 H70 N8 O2 Si3 -","1","0.5","","Dang, Minh-Trung; Grant, Trevor M.; Yan, Han; Seferos, Dwight S.; Lessard, Benoît H.; Bender, Timothy P.","Bis(tri-n-alkylsilyl oxide) silicon phthalocyanines: a start to establishing a structure property relationship as both ternary additives and non-fullerene electron acceptors in bulk heterojunction organic photovoltaic devices","Journal of Materials Chemistry A","2017","5","24","12168","","10.1039/C6TA10739G","","","0.71073","MoKα","","0.0437","0.0323","","","0.0803","0.0887","","","","","","1.03","","","","has coordinates","235483","2020-10-21","18:00:00",""
"7236408","18.8605","0.0004","18.8605","0.0004","16.6183","0.0004","90","","90","","120","","5119.5","0.2","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co5 N15 O15 -","- C42 H24 Co5 N15 O15 -","- C84 H48 Co10 N30 O30 -","2","0.0833333","","Chen, Di-Ming; Zhang, Nan-Nan; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Pore modulation of metal‒organic frameworks towards enhanced hydrothermal stability and acetylene uptake via incorporation of different functional brackets","Journal of Materials Chemistry A","2017","5","10","4861","","10.1039/C6TA10785K","","x-ray","1.54184","CuKα","","0.0987","0.0968","","","0.2788","0.2881","","","","","","1.106","","","","has coordinates,has disorder","235485","2020-10-21","18:00:00",""
"7236409","16.7919","0.001","16.7919","0.001","18.9208","0.0013","90","","90","","120","","4620.3","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7.33 H5.33 Co0.5 N3.17 O1.17 -","- C7.3332 H5.3328 Co0.5 N3.1666 O1.16667 -","- C87.9984 H63.9936 Co6 N37.9992 O14 -","12","0.5","","Chen, Di-Ming; Zhang, Nan-Nan; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Pore modulation of metal‒organic frameworks towards enhanced hydrothermal stability and acetylene uptake via incorporation of different functional brackets","Journal of Materials Chemistry A","2017","5","10","4861","","10.1039/C6TA10785K","","x-ray","1.54184","CuKα","","0.0532","0.0518","","","0.1636","0.1651","","","","","","1.157","","","","has coordinates,has disorder","235485","2020-10-21","18:00:00",""
"7236410","8.1188","0.0003","13.891","0.0005","23.9522","0.0009","90","","92.0462","0.0017","90","","2699.56","0.17","123","","123","","","","","","","","F. Malzner","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu F6 N4 P S2 -","- C26 H20 Cu F6 N4 P S2 -","- C104 H80 Cu4 F24 N16 P4 S8 -","4","1","","Malzner, Frederik J.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.; Willgert, Markus","Exploring simple ancillary ligands in copper-based dye-sensitized solar cells: effects of a heteroatom switch and of co-sensitization","Journal of Materials Chemistry A","2017","5","9","4671","","10.1039/C6TA10947K","","","1.54178","CuKα","","0.0888","0.0883","","0.2243","0.2242","0.2243","","","","","","0.9825","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236411","29.0226","0.0018","14.9554","0.001","12.9437","0.0009","90","","90.929","0.004","90","","5617.4","0.6","123","","123","","","","","","","","F. Malzner","8","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H21 Cl Cu F6 N4 O2 P -","- C26 H20 Cu F6 N4 O2 P -","- C208 H160 Cu8 F48 N32 O16 P8 -","8","1","","Malzner, Frederik J.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.; Willgert, Markus","Exploring simple ancillary ligands in copper-based dye-sensitized solar cells: effects of a heteroatom switch and of co-sensitization","Journal of Materials Chemistry A","2017","5","9","4671","","10.1039/C6TA10947K","","","1.54178","CuKα","","0.1171","0.1","","0.2359","0.2272","0.2353","","","","","","1.0095","","","","has coordinates","235487","2020-10-21","18:00:00",""
"7236412","13.9619","0.0016","41.194","0.005","17.1363","0.0016","90","","102.485","0.007","90","","9622.8","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C22 H11 Co N3 O4 -","- C22 H11 Co N3 O4 -","- C176 H88 Co8 N24 O32 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2324","0.1388","","","0.3957","0.4319","","","","","","1.23","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236413","13.7763","0.0011","40.73","0.006","17.9835","0.0014","90","","101.209","0.002","90","","9898.2","1.8","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C22 H11 Mn N3 O6 -","- C22 H11 Mn N3 O6 -","- C176 H88 Mn8 N24 O48 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.3694","0.1177","","","0.3329","0.4213","","","","","","0.958","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236414","9.425","0.003","13.46","0.004","24.125","0.008","92.963","0.007","91.438","0.008","106.991","0.008","2920.4","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tripticene triacid","","- C52 H26 F12 N6 O14 -","- C52 H26 F12 N6 O14 -","- C104 H52 F24 N12 O28 -","2","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2597","0.1317","","","0.3206","0.3729","","","","","","0.965","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236415","14.004","0.0014","41.869","0.005","17.1369","0.0017","90","","104.489","0.003","90","","9728.4","1.8","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C24 H17 Cd N3 O6 S -","- C24 H17 Cd N3 O6 S -","- C192 H136 Cd8 N24 O48 S8 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.1801","0.1699","","","0.4741","0.4914","","","","","","2.383","","","","has coordinates,has disorder","235490","2020-10-21","18:00:00",""
"7236416","13.9438","0.0015","42.307","0.006","16.9583","0.0016","90","","104.249","0.007","90","","9696","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C25 H13 Br Cd N3 O7 -","- C25 H13 Br Cd N3 O7 -","- C200 H104 Br8 Cd8 N24 O56 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2267","0.1802","","","0.4784","0.5026","","","","","","1.84","","","","has coordinates,has disorder","235490","2020-10-21","18:00:00",""
"7236417","17.4696","0.0005","17.4696","0.0005","33.7023","0.0009","90","","90","","90","","10285.5","0.5","100","10","100","10","","","","","","","","5","I -4","I -4","82","","","","- C36 H24 Cu3 N9 O6 -","- C36 H24 Cu3 N9 O6 -","- C288 H192 Cu24 N72 O48 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","x-ray","1.54184","CuKα","","0.1395","0.0813","","","0.2131","0.3106","","","","","","1.127","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236418","17.2079","0.0003","17.2079","0.0003","34.0361","0.001","90","","90","","90","","10078.5","0.4","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C36 H24 Cu3 N9 O6 -","- C36 H24 Cu3 N9 O6 -","- C288 H192 Cu24 N72 O48 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","","1.54184","CuKα","","0.1121","0.0561","","","0.1215","0.1427","","","","","","1.013","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236419","17.3245","0.0003","17.3245","0.0003","33.9396","0.0006","90","","90","","90","","10186.6","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C38.02 H25.15 Cu3 N9.58 O6.29 -","- C38.0181 H25.1532 Cu3 N9.5766 O6.2883 -","- C304.145 H201.226 Cu24 N76.6128 O50.3064 -","8","1","","Li, Ziyin; Zhang, Zhangjing; Ye, Yingxiang; Cai, Kaicong; Du, Fenfen; Zeng, Heng; Tao, Jin; Lin, Quanjie; Zheng, Ying; Xiang, Shengchang","Rationally tuning host‒guest interactions to free hydroxide ions within intertrimerically cuprophilic metal‒organic frameworks for high OH− conductivity","Journal of Materials Chemistry A","2017","5","17","7816","","10.1039/C6TA11242K","","","1.54184","CuKα","","0.0844","0.0611","","","0.1618","0.179","","","","","","1.033","","","","has coordinates","235493","2020-10-21","18:00:00",""
"7236437","14.8761","0.0008","9.7832","0.0008","29.3191","0.0019","90","","102.336","0.006","90","","4168.5","0.5","293.15","","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C192 H200 N8 O32 -","8","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0999","0.0735","","","0.1888","0.2221","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236438","32.5484","0.0012","32.5484","0.0012","8.2649","0.0003","90","","90","","120","","7582.8","0.5","110","","110","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C306 H486 N18 O72 -","18","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0779","0.069","","","0.2017","0.2154","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236439","7.462","0.007","7.524","0.007","11.643","0.011","98.794","0.013","90.593","0.014","103.259","0.013","628.1","1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C24 H34 N2 O8 -","2","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","","0.71073","MoKα","","0.1632","0.0822","","","0.2039","0.2523","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236440","17.1216","0.0004","17.444","0.0004","7.8768","0.0002","90","","90","","90","","2352.56","0.1","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Ca3K2(gal)2(H2O)7.5","","","- C7 H9.5 Ca1.5 K O8.75 -","- C7 H2 Ca1.5 K O8.75 -","- C56 H16 Ca12 K8 O70 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0994","0.0548","","","0.1558","0.1844","","","","","","1.038","","","","has coordinates,has disorder","235513","2020-10-21","18:00:00",""
"7236441","17.3088","0.0016","17.4277","0.0015","7.8949","0.0007","90","","90","","90","","2381.5","0.4","297","2","297","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 Ca1.5 K O8.5 -","- C7 H2 Ca1.5 K O8.5 -","- C56 H16 Ca12 K8 O68 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0754","0.0665","","","0.2001","0.2084","","","","","","1.076","","","","has coordinates","235513","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",""
"7236445","14.3531","0.0008","26.4522","0.0015","20.1764","0.0012","90","","106.819","0.0011","90","","7332.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 N3 O2 Pt -","- C41 H43 N3 O2 Pt -","- C328 H344 N24 O16 Pt8 -","8","2","","Liu, Guojun; Liang, Feng; Zhao, Yue; Hu, Hailiang; Fan, Jian; Liao, Liang-Sheng","Phosphorescent platinum(ii) complexes based on spiro linkage-containing ligands","Journal of Materials Chemistry C","2017","5","8","1944","","10.1039/C6TC04312G","","","0.71073","MoKα","","0.0786","0.0411","","","0.0831","0.0917","","","","","","0.986","","","","has coordinates,has disorder","235521","2020-10-21","18:00:00",""
"7236446","10.0732","0.0011","31.516","0.003","11.2075","0.0012","90","","99.143","0.002","90","","3512.8","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H42 N2 O2 Pt -","- C42 H42 N2 O2 Pt -","- C168 H168 N8 O8 Pt4 -","4","2","","Liu, Guojun; Liang, Feng; Zhao, Yue; Hu, Hailiang; Fan, Jian; Liao, Liang-Sheng","Phosphorescent platinum(ii) complexes based on spiro linkage-containing ligands","Journal of Materials Chemistry C","2017","5","8","1944","","10.1039/C6TC04312G","","","0.71073","MoKα","","0.0717","0.0516","","","0.1096","0.1176","","","","","","0.996","","","","has coordinates","235521","2020-10-21","18:00:00",""
"7236447","9.6769","0.0007","28.388","0.003","15.0283","0.0011","90","","94.366","0.009","90","","4116.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Iridium(benzoquinoline)2(2,2?-biquinoline)][hexafluorophosphate]","","- C48 H36 F6 Ir N4 O2 P -","- C48 H36 F6 Ir N4 O2 P -","- C192 H144 F24 Ir4 N16 O8 P4 -","4","1","","Namanga, Jude E.; Gerlitzki, Niels; Mallick, Bert; Mudring, Anja-Verena","Long term stable deep red light-emitting electrochemical cells based on an emissive, rigid cationic Ir(iii) complex","Journal of Materials Chemistry C","2017","5","12","3049","","10.1039/C6TC04547B","","","0.71073","MoKα","","0.071","0.0449","","","0.1122","0.1379","","","","","","1.114","","","","has coordinates,has disorder","235524","2020-10-21","18:00:00",""
"7236448","6.1567","0.0007","7.2515","0.0008","16.757","0.002","90","","95.203","0.005","90","","745.04","0.15","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","'C24 H16'","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","1","","Xu, Wenjun; He, Yaowu; Murtaza, Imran; Zhang, Dongwei; Li, Aiyuan; Hu, Zhao; Zeng, Xingwei; Guo, Yitong; Zhu, Yanan; Liu, Ming; Meng, Hong","Phenyl substitution in tetracene: a promising strategy to boost charge mobility in thin film transistors","Journal of Materials Chemistry C","2017","5","11","2852","","10.1039/C6TC04624J","","","0.71073","MoKα","","0.2486","0.2288","","","0.6281","0.6542","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236449","7.6675","0.0011","6.1022","0.0008","69.473","0.01","90","","92.129","0.008","90","","3248.3","0.8","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-TBBT-V","","","- C36 H48 S3 -","- C36 H48 S3 -","- C144 H192 S12 -","4","1","","Mitsui, Chikahiko; Tsuyama, Hiroaki; Shikata, Ryoji; Murata, Yoshinori; Kuniyasu, Hiroyuki; Yamagishi, Masakazu; Ishii, Hiroyuki; Yamamoto, Akito; Hirose, Yuri; Yano, Masafumi; Takehara, Tsunayoshi; Suzuki, Takeyuki; Sato, Hiroyasu; Yamano, Akihito; Fukuzaki, Eiji; Watanabe, Tetsuya; Usami, Yoshihisa; Takeya, Jun; Okamoto, Toshihiro","High performance solution-crystallized thin-film transistors based on V-shaped thieno[3,2-f:4,5-f′]bis[1]benzothiophene semiconductors","Journal of Materials Chemistry C","2017","5","8","1903","","10.1039/C6TC04721A","","","1.54187","CuKα","","","0.1019","","","","0.2571","","","","","","0.986","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236450","15.3906","0.001","7.7582","0.0005","17.3185","0.0012","90","","109.331","0.001","90","","1951.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H44 Br4 Cd4 N8 O23 -","- C72 H44 Br4 Cd4 N8 O23 -","- C72 H44 Br4 Cd4 N8 O23 -","1","0.25","","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","","0.0578","0.0377","","","0.0908","0.0991","","","","","","1.018","","","","has coordinates,has disorder","235531","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",""
"7236452","7.6455","0.0003","11.9092","0.0003","25.1027","0.0006","83.133","0.002","82.326","0.002","74.997","0.003","2179.32","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H75 N3 S2 Si2 -","- C40 H75 N3 S2 Si2 -","- C80 H150 N6 S4 Si4 -","2","1","","Patra, Dhananjaya; Lee, Jaehyuk; Lee, Jongbok; Sredojevic, Dusan N.; White, Andrew J. P.; Bazzi, Hassan S.; Brothers, Edward N.; Heeney, Martin; Fang, Lei; Yoon, Myung-Han; Al-Hashimi, Mohammed","Synthesis of low band gap polymers based on pyrrolo[3,2-d:4,5-d′]bisthiazole (PBTz) and thienylenevinylene (TV) for organic thin-film transistors (OTFTs)","Journal of Materials Chemistry C","2017","5","9","2247","","10.1039/C6TC04763G","","","0.71073","MoKα","","0.1175","0.0794","","","0.1612","0.1774","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236453","6.038","0.012","10.53","0.02","11.38","0.02","73.66","0.03","86.94","0.03","87.92","0.03","693","2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H38 -","- C36 H38 -","- C36 H38 -","1","0.5","","Bera, Manas Kumar; Chakraborty, Chanchal; Malik, Sudip","Solid state emissive organic fluorophores with remarkable broad color tunability based on aryl-substituted buta-1,3-diene as the central core","Journal of Materials Chemistry C","2017","5","27","6872","","10.1039/C6TC04906K","","","0.71073","MoKα","","0.1483","0.0688","","","0.1626","0.21","","","","","","0.919","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236454","6.4833","0.0005","7.3435","0.0005","32.625","0.002","90","","92.537","0.003","90","","1551.76","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 N2 O2 S2 -","- C38 H44 N2 O2 S2 -","- C76 H88 N4 O4 S4 -","2","0.5","","Kovalenko, Alexander; Yumusak, Cigdem; Heinrichova, Patricie; Stritesky, Stanislav; Fekete, Ladislav; Vala, Martin; Weiter, Martin; Sariciftci, Niyazi Serdar; Krajcovic, Jozef","Adamantane substitutions: a path to high-performing, soluble, versatile and sustainable organic semiconducting materials","Journal of Materials Chemistry C","2017","5","19","4716","","10.1039/C6TC05076J","","","0.71073","MoKα","","0.0367","0.0344","","","0.0862","0.0877","","","","","","1.046","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236455","16.1376","0.0018","16.7578","0.0019","15.9279","0.0019","90","","117.757","0.003","90","","3811.7","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 N3 O2 S -","- C50 H41 N3 O2 S -","- C200 H164 N12 O8 S4 -","4","1","","Kautny, Paul; Zhao, Chenyang; Schopf, Dominik; Stöger, Berthold; Horkel, Ernst; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Lumpi, Daniel","Thieno[3,4-c]pyrrole-4,6-dione as novel building block for host materials for red PhOLEDs","Journal of Materials Chemistry C","2017","5","8","1997","","10.1039/C6TC05248G","","x-ray","0.71073","MoKα","","0.1669","0.0628","","","0.0523","0.0598","","","","1.99","1.99","1.5","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236456","8.5023","0.0002","17.3319","0.0004","12.118","0.0003","90","","90","","90","","1785.72","0.07","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10.5 H4.5 Eu0.5 N0.5 O5 -","- C10.5 H4.5 Eu0.5 N0.5 O5 -","- C84 H36 Eu4 N4 O40 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0418","0.036","","","0.1393","0.1488","","","","","","1.214","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236457","8.5011","0.0003","17.2958","0.0005","12.0726","0.0003","90","","90","","90","","1775.07","0.09","100","","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H9 Gd N O10 -","- C21 H9 Gd N O10 -","- C84 H36 Gd4 N4 O40 -","4","0.5","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0623","0.0467","","","0.101","0.1064","","","","","","1.157","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236458","8.5052","0.0002","17.3256","0.0004","12.0864","0.0003","90","","90","","90","","1781.02","0.07","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10.5 H4.5 N0.5 O5 Tb0.5 -","- C10.5 H4.5 N0.5 O5 Tb0.5 -","- C84 H36 N4 O40 Tb4 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Yu, Muxin; Wan, Xiuyan; Zhang, Bo; Hong, Maochun","A family of doped lanthanide metal‒organic frameworks for wide-range temperature sensing and tunable white light emission","Journal of Materials Chemistry C","2017","5","8","1981","","10.1039/C6TC05316E","","","1.54184","CuKα","","0.0435","0.0382","","","0.0973","0.1014","","","","","","1.071","","","","has coordinates","235547","2020-10-21","18:00:00",""
"7236459","15.1834","0.0004","15.1834","0.0004","26.5282","0.0009","90","","90","","120","","5296.3","0.3","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C32 H28 N5 O10 Tb -","- C32 H28 N5 O10 Tb -","- C192 H168 N30 O60 Tb6 -","6","0.5","","Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao","Template-directed synthesis of a luminescent Tb-MOF material for highly selective Fe3+ and Al3+ ion detection and VOC vapor sensing","Journal of Materials Chemistry C","2017","5","9","2311","","10.1039/C6TC05349A","","","0.7107","MoKα","","0.0456","0.0381","","","0.1045","0.112","","","","","","1.124","","","","has coordinates,has disorder","235549","2020-10-21","18:00:00",""
"7236460","10.3376","0.0006","10.4327","0.0006","17.241","0.0012","72.432","0.002","88.856","0.003","60.397","0.002","1522.49","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H60 N4 O8 Zn2 -","- C84 H60 N4 O8 Zn2 -","- C84 H60 N4 O8 Zn2 -","1","0.5","","Liu, Min; Quah, Hong Sheng; Wen, Shuangchun; Wang, Junyong; Kumar, P. Sanjay; Eda, Goki; Vittal, Jagadese J.; Ji, Wei","Nonlinear optical properties of a one-dimensional coordination polymer","Journal of Materials Chemistry C","2017","5","11","2936","","10.1039/C6TC05372F","","","0.71073","MoKα","","0.0758","0.0453","","","0.0876","0.0975","","","","","","1.008","","","","has coordinates","235551","2020-10-21","18:00:00",""
"7236461","18.061","0.004","27.381","0.006","23.825","0.005","90","","106.14","0.004","90","","11318","4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H94 Mn9 Na2 O123 Sb2 W18 -","- C6 Mn9 Na2 O123 Sb2 W18 -","- C24 Mn36 Na8 O492 Sb8 W72 -","4","0.5","","Liu, Jiancai; Luo, Jie; Han, Qing; Cao, Jing; Chen, Lijuan; Song, You; Zhao, Junwei","Coexistence of long-range ferromagnetic ordering and spin-glass behavior observed in the first inorganic‒organic hybrid 1-D oxalate-bridging nona-MnII sandwiched tungstoantimonate chain","Journal of Materials Chemistry C","2017","5","8","2043","","10.1039/C6TC05479J","","","0.71073","MoKα","","0.0727","0.0459","","","0.1148","0.1243","","","","","","1.021","","","","has coordinates","235554","2020-10-21","18:00:00",""
"7236462","15.1632","0.0004","5.75337","0.00013","12.5157","0.0003","90","","95.46","0.002","90","","1086.91","0.05","284.06","0.1","284.06","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 O3 S2 -","- C12 H6 O3 S2 -","- C48 H24 O12 S8 -","4","1","","Mei, Xiaofei; Wang, Jingwei; Zhou, Zhonggao; Wu, Shiyi; Huang, Limei; Lin, Zhenghuan; Ling, Qidan","Diarylmaleic anhydrides: unusual organic luminescence, multi-stimuli response and photochromism","Journal of Materials Chemistry C","2017","5","8","2135","","10.1039/C6TC05519B","","x-ray","1.54184","CuKα","","0.0667","0.0599","","","0.1599","0.1721","","","","","","1.0495","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236463","7.2537","0.0003","6.7653","0.0003","15.6473","0.0007","90","","97.694","0.004","90","","760.95","0.06","292.14","0.1","292.14","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H12 N2 O3 -","- C20 H12 N2 O3 -","- C40 H24 N4 O6 -","2","1","","Mei, Xiaofei; Wang, Jingwei; Zhou, Zhonggao; Wu, Shiyi; Huang, Limei; Lin, Zhenghuan; Ling, Qidan","Diarylmaleic anhydrides: unusual organic luminescence, multi-stimuli response and photochromism","Journal of Materials Chemistry C","2017","5","8","2135","","10.1039/C6TC05519B","","x-ray","1.54184","CuKα","","0.0608","0.058","","","0.1556","0.1598","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236464","15.2208","0.0004","5.94826","0.00019","13.8485","0.0004","90","","101.601","0.003","90","","1228.19","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C64 H40 O12 -","4","1","","Mei, Xiaofei; Wang, Jingwei; Zhou, Zhonggao; Wu, Shiyi; Huang, Limei; Lin, Zhenghuan; Ling, Qidan","Diarylmaleic anhydrides: unusual organic luminescence, multi-stimuli response and photochromism","Journal of Materials Chemistry C","2017","5","8","2135","","10.1039/C6TC05519B","","","1.54184","CuKα","","0.0595","0.0505","","","0.1179","0.1278","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236465","29.952","0.0002","29.952","0.0002","19.5265","0.0004","90","","90","","90","","17517.7","0.4","200","2","200","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C59 H43 N5 O2 -","- C59 H43 N5 O2 -","- C944 H688 N80 O32 -","16","1","","Huang, Jau-Jiun; Yun, Lik-Ka; Kung, Te-Jen; Chen, Chi-Lin; Lee, Jiun-Haw; Wu, Yuh-Renn; Chiu, Tien-Lung; Chou, Pi-Tai; Leung, Man-kit","Networking hole and electron hopping paths by Y-shaped host molecules: promoting blue phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2017","5","14","3600","","10.1039/C6TC05538A","","","1.54178","CuKα","","0.0944","0.062","","","0.1563","0.1815","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236466","15.0499","0.0002","7.55959","0.0001","19.0308","0.0003","90","","90","","90","","2165.15","0.05","183","1","183","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(pentafluorophenyl)dichloro-gold(iii)","","- C10 H9 Au Cl2 N2 -","- C10 H9 Au Cl2 N2 -","- C80 H72 Au8 Cl16 N16 -","8","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue–blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0279","0.0219","","","0.054","0.0577","","","","","","1.091","","","","has coordinates","288465","2023-12-21","08:39:28",""
"7236467","7.46134","0.00012","14.2119","0.0002","22.5071","0.0004","90","","90.5088","0.0018","90","","2386.55","0.07","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1-methyl-3-phenyl-2,3-dihydro-1H-imidazole)-bis(pentafluorophenyl)-gold(iii) dichloromethane solvate","","- C23 H11 Au Cl2 F10 N2 -","- C23 H11 Au Cl2 F10 N2 -","- C92 H44 Au4 Cl8 F40 N8 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","1.54184","CuKα","","0.033","0.0322","","","0.0846","0.0853","","","","","","1.129","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236468","12.6163","0.0002","6.87229","0.0001","15.3236","0.0003","90","","111.884","0.002","90","","1232.86","0.04","183","1","183","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(1-methyl-3-phenyl-2,3-dihydro-1H-imidazole)-bis(4-fluorophenylethynyl)-gold(iii) hexane solvate 2:1","","- C29 H24 Au F2 N2 -","- C29 H24 Au F2 N2 -","- C58 H48 Au2 F4 N4 -","2","0.5","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","1.54184","CuKα","","0.0251","0.0243","","","0.0641","0.0647","","","","","","1.08","","","","has coordinates,has disorder","235561","2020-10-21","18:00:00",""
"7236469","7.9815","0.0002","19.0268","0.0004","9.0159","0.0002","90","","109.315","0.003","90","","1292.11","0.06","183","1","183","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-phenyl-3-methylimidazolin-2-ylidene)-trichloro-gold(iii)","","- C10 H10 Au Cl3 N2 -","- C10 H10 Au Cl3 N2 -","- C40 H40 Au4 Cl12 N8 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0225","0.0208","","","0.0483","0.049","","","","","","1.138","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236470","8.9263","0.0002","9.1203","0.0002","13.5093","0.0002","89.5116","0.0017","84.5109","0.0016","77.147","0.002","1067.23","0.04","183","1","183","1","","","","","","","","5","P -1","-P 1","2","","(1-phenyl-3-methylimidazolin-2-ylidene)-chloro-gold(i)","","- C10 H10 Au Cl N2 -","- C10 H10 Au Cl N2 -","- C40 H40 Au4 Cl4 N8 -","4","2","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0294","0.0255","","","0.0649","0.0674","","","","","","1.025","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236471","31.2423","0.0017","13.269","0.0007","14.5873","0.0007","90","","102.587","0.005","90","","5901.9","0.5","183","1","183","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(3,4-dibenzofurandiyl(3-methyl-1H-imidazol-2-ylidene))- bis(pentafluorophenyl)-gold(iii) pentane solvate 4:1","","- C117 H56 Au4 F40 N8 O4 -","- C117 H56 Au4 F40 N8 O4 -","- C234 H112 Au8 F80 N16 O8 -","2","0.25","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.08","0.0454","","","0.1252","0.1379","","","","","","1.049","","","","has coordinates,has disorder","235561","2020-10-21","18:00:00",""
"7236472","14.9429","0.0004","13.383","0.0004","27.7426","0.0013","90","","93.587","0.003","90","","5537.1","0.3","183","1","183","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(3,4-dibenzofurandiyl(3-methyl-1H-imidazol-2-ylidene))-pentafluorophenyl-(4-fluorophenylethynyl)-gold(iii) dichloromethane solvate 4:1","","- C121 H62 Au4 Cl2 F24 N8 O4 -","- C121 H62 Au4 Cl2 F24 N8 O4 -","- C242 H124 Au8 Cl4 F48 N16 O8 -","2","0.5","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","1.54184","CuKα","","0.0837","0.0732","","","0.2042","0.2139","","","","","","1.047","","","","has coordinates,has disorder","235561","2020-10-21","18:00:00",""
"7236473","10.1622","0.0002","14.9458","0.0004","22.776","0.0006","90","","90","","90","","3459.27","0.15","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(9,9-dimethyl-9H-fluoren-1-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-ylium iodide","","- C19 H19 I N2 -","- C19 H19 I N2 -","- C152 H152 I8 N16 -","8","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue–blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","0.71073","MoKα","","0.0347","0.0292","","","0.0784","0.0818","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236474","7.42395","0.00015","9.7184","0.00019","11.1571","0.0002","75.03","0.0016","73.7053","0.0017","69.5966","0.0018","712.55","0.03","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","chloro[1-(dibenzo[b,d]furan-4-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(i)","","- C16 H12 Au Cl N2 O -","- C16 H12 Au Cl N2 O -","- C32 H24 Au2 Cl2 N4 O2 -","2","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0183","0.0166","","","0.0401","0.0409","","","","","","1.07","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236475","12.4966","0.0004","10.2798","0.0003","13.1496","0.0003","90","","90.296","0.003","90","","1689.21","0.08","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trichloro[1-(dibenzo[b,d]furan-4-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(iii)","","- C16 H12 Au Cl3 N2 O -","- C16 H12 Au Cl3 N2 O -","- C64 H48 Au4 Cl12 N8 O4 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0302","0.0239","","","0.0555","0.0585","","","","","","1.069","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236476","17.61694","0.0002","7.56666","0.00009","14.878","0.0002","90","","90","","90","","1983.26","0.04","183","1","183","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","trichloro[1-(9,9-dimethyl-9H-fluoren-1-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-yl]-gold(iii)","","- C19 H18 Au Cl3 N2 -","- C19 H18 Au Cl3 N2 -","- C76 H72 Au4 Cl12 N8 -","4","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","0.71073","MoKα","","0.0167","0.0149","","","0.0325","0.0333","","","","","","1.036","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236477","10.8029","0.0004","15.9579","0.0005","14.6015","0.0003","90","","90","","90","","2517.18","0.13","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19.09 H34 Cl N O12.22 -","- C19.09 H34 Cl N O12.218 -","- C76.36 H136 Cl4 N4 O48.872 -","4","0.5","","Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua","A supra-molecular switchable dielectric material with non-linear optical properties","Journal of Materials Chemistry C","2017","5","11","2865","","10.1039/C6TC05574E","","","1.54184","CuKα","","0.0875","0.0823","","","0.2434","0.2538","","","","","","1.944","","","","has coordinates,has disorder","235565","2020-10-21","18:00:00",""
"7236478","31.3826","0.0003","14.5065","0.0001","10.7933","0.0001","90","","90","","90","","4913.67","0.07","173","2","173","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C35 H73 Cl2 N7 O18 -","- C36 H71 Cl2 N2 O22 -","- C144 H284 Cl8 N8 O88 -","4","1","","Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua","A supra-molecular switchable dielectric material with non-linear optical properties","Journal of Materials Chemistry C","2017","5","11","2865","","10.1039/C6TC05574E","","","1.54184","CuKα","","0.0642","0.0612","","","0.179","0.1836","","","","","","1.006","","","","has coordinates","235565","2020-10-21","18:00:00",""
"7236479","7.5618","0.0009","9.5721","0.0011","32.633","0.004","90","","92.446","0.003","90","","2359.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-phenanthrenyl-1,2,3,5-dithiadiazolyl","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Osorio-Román, Igor; Nascimento, Mitchell A.; Rawson, Jeremy M.","A fluorescent dithiadiazolyl radical: structure and optical properties of phenanthrenyl dithiadiazolyl in solution and polymer composites","Journal of Materials Chemistry C","2017","5","11","2794","","10.1039/C6TC05576A","","","0.71073","MoKα","","0.0797","0.0612","","","0.1316","0.1393","","","","","","1.127","","","","has coordinates","235567","2020-10-21","18:00:00",""
"7236480","30.773","0.002","9.3088","0.0004","30.411","0.002","90","","111.272","0.008","90","","8118","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 O10 Tb -","- C33 H29 O10 Tb -","- C264 H232 O80 Tb8 -","8","1","","Chen, Min; Xu, Wen-Ming; Tian, Jia-Yue; Cui, Hui; Zhang, Jiao-Xing; Liu, Chun-Sen; Du, Miao","A terbium(iii) lanthanide‒organic framework as a platform for a recyclable multi-responsive luminescent sensor","Journal of Materials Chemistry C","2017","5","8","2015","","10.1039/C6TC05615F","","","1.54184","CuKα","","0.1023","0.0935","","","0.2304","0.2403","","","","","","0.841","","","","has coordinates","235570","2020-10-21","18:00:00",""
"7236481","9.774","0.002","14.218","0.003","14.357","0.003","90.59","0.03","105.4","0.03","104.73","0.03","1853.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H35 N3 -","- C53 H35 N3 -","- C106 H70 N6 -","2","1","","Li, Chenglong; Li, Zhiqiang; Yan, Xianju; Zhang, Yuewei; Zhang, Zuolun; Wang, Yue","Structurally simple non-doped sky-blue OLEDs with high luminance and efficiencies at low driving voltages","Journal of Materials Chemistry C","2017","5","8","1973","","10.1039/C6TC05639C","","","0.71073","MoKα","","0.0835","0.0517","","","0.1257","0.145","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236482","9.0678","0.0018","13.681","0.003","16.569","0.003","94.64","0.03","102.84","0.03","106.29","0.03","1901","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H33 N3 -","- C53 H33 N3 -","- C106 H66 N6 -","2","1","","Li, Chenglong; Li, Zhiqiang; Yan, Xianju; Zhang, Yuewei; Zhang, Zuolun; Wang, Yue","Structurally simple non-doped sky-blue OLEDs with high luminance and efficiencies at low driving voltages","Journal of Materials Chemistry C","2017","5","8","1973","","10.1039/C6TC05639C","","","0.71073","MoKα","","0.1744","0.0753","","","0.1752","0.2337","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236483","9.4004","0.0019","11.442","0.002","21.172","0.004","82.07","0.03","84.57","0.03","87.47","0.03","2244.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56.5 H40.5 Cl1.5 S -","- C56.5 H40.5 Cl1.5 S -","- C113 H81 Cl3 S2 -","2","1","","Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping","The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers","Journal of Materials Chemistry C","2017","5","10","2552","","10.1039/C6TC05653A","","","0.71073","MoKα","","0.1313","0.0713","","","0.2139","0.2663","","","","","","1.002","","","","has coordinates,has disorder","235574","2020-10-21","18:00:00",""
"7236484","11.335","0.002","11.899","0.002","16.207","0.003","78.13","0.03","76.41","0.03","86.87","0.03","2079.2","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H40 S -","- C56 H40 S -","- C112 H80 S2 -","2","1","","Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping","The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers","Journal of Materials Chemistry C","2017","5","10","2552","","10.1039/C6TC05653A","","","0.71073","MoKα","","0.1138","0.0583","","","0.1505","0.1778","","","","","","1.044","","","","has coordinates","235574","2020-10-21","18:00:00",""
"7236485","12.154","0.002","13.157","0.003","14.471","0.003","67.38","0.03","83.54","0.03","79.95","0.03","2100.7","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","M2","3,4-bis(4-(1,2,2-triphenylvinyl)phenyl)thiophene","","- C56 H40 S -","- C56 H40 S -","- C112 H80 S2 -","2","1","","Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping","The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers","Journal of Materials Chemistry C","2017","5","10","2552","","10.1039/C6TC05653A","","","0.71073","MoKα","","0.1261","0.0602","","","0.1576","0.1962","","","","","","0.985","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236486","9.6879","0.0006","10.8287","0.0008","12.5904","0.0008","109.624","0.007","101.816","0.006","94.794","0.006","1201.01","0.16","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H25 Br -","- C31 H25 Br -","- C62 H50 Br2 -","2","1","","Zubair Khalid Baig, M.; Majhi, Debashis; Tulichala, R. N. Prasad; Sarkar, Moloy; Chakravarty, Manab","Easy access to new anthracenyl π-conjugates: generation of distinct AIE-active materials","Journal of Materials Chemistry C","2017","5","9","2380","","10.1039/C6TC05671G","","","1.54178","CuKα","","0.096","0.0823","","","0.2263","0.2415","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236487","8.5335","0.0004","27.1807","0.0014","8.7807","0.0004","90","","108.756","0.002","90","","1928.5","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br O -","- C26 H17 Br O -","- C104 H68 Br4 O4 -","4","1","","Zubair Khalid Baig, M.; Majhi, Debashis; Tulichala, R. N. Prasad; Sarkar, Moloy; Chakravarty, Manab","Easy access to new anthracenyl π-conjugates: generation of distinct AIE-active materials","Journal of Materials Chemistry C","2017","5","9","2380","","10.1039/C6TC05671G","","","0.71073","MoKα","","0.0902","0.0721","","","0.1739","0.1888","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236524","11.962","0.002","14.897","0.003","22.54","0.005","104.12","0.03","91.11","0.03","106.09","0.03","3726.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H44 O62 P12 Zn10 -","- C12 H44 O62 P12 Zn10 -","- C24 H88 O124 P24 Zn20 -","2","1","","Cai, Kun; Sun, Fuxing; Liang, Xiaoqiang; Liu, Cong; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan","An acid-stable hexaphosphate ester based metal‒organic framework and its polymer composite as proton exchange membrane","Journal of Materials Chemistry A","2017","5","25","12943","","10.1039/C7TA00169J","","","0.71073","MoKα","","0.1388","0.0786","","","0.167","0.1869","","","","","","1.002","","","","has coordinates,has disorder","236272","2020-10-21","18:00:00",""
"7236525","29.1076","0.0013","29.1076","0.0013","23.5668","0.0019","90","","90","","90","","19967","2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H36 Cu5 In30 N4 S56 -","- C24 Cu4.9996 In30.0004 N4 S56 -","- C96 Cu19.9984 In120.002 N16 S224 -","4","0.25","","Li, Zhao-Qi; Mo, Chong-Jiao; Guo, Yao; Xu, Nan-Nan; Zhu, Qin-Yu; Dai, Jie","Discrete supertetrahedral CuInS nanoclusters and their application in fabrication of cluster-sensitized TiO2 photoelectrodes","Journal of Materials Chemistry A","2017","5","18","8519","","10.1039/C7TA00247E","","","0.71073","MoKα","","0.1647","0.0739","","","0.1276","0.1582","","","","","","1.166","","","","has coordinates","236274","2020-10-21","18:00:00",""
"7236526","17.4164","0.0006","14.2453","0.0004","20.4424","0.0007","90","","114.512","0.004","90","","4614.7","0.3","122.35","0.1","122.35","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H29 Eu2 N11 O16 -","- C36 H29 Eu2 N11 O16 -","- C144 H116 Eu8 N44 O64 -","4","0.5","","Wang, Lu; Fan, Guilan; Xu, Xiufang; Chen, Diming; Wang, Liang; Shi, Wei; Cheng, Peng","Detection of polychlorinated benzenes (persistent organic pollutants) by a luminescent sensor based on a lanthanide metal‒organic framework","Journal of Materials Chemistry A","2017","5","11","5541","","10.1039/C7TA00256D","","","0.71073","MoKα","","0.0505","0.0412","","","0.1313","0.1417","","","","","","1.003","","","","has coordinates","236275","2020-10-21","18:00:00",""
"7236527","8","0.0015","10.601","0.002","16.4","0.004","93.857","0.007","102.755","0.007","101.878","0.006","1318.2","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H40 N4 O13 V -","- C17 H40 N4 O13 V -","- C34 H80 N8 O26 V2 -","2","1","","Huang, Haobo; Howland, Rachael; Agar, Ertan; Nourani, Mahnaz; Golen, James A.; Cappillino, Patrick J.","Bioinspired, high-stability, nonaqueous redox flow battery electrolytes","Journal of Materials Chemistry A","2017","5","23","11586","","10.1039/C7TA00365J","","","0.71073","MoKα","","0.0583","0.0418","","","0.1058","0.1156","","","","","","1.02","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236528","18.682","0.029","18.682","0.029","18.204","0.028","90","","90","","90","","6354","17","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHCyp","","- C2.955 N0.315 O2.149 Ti0.25 -","- C2.955 N0.315 O2.15 Ti0.25 -","- C94.56 N10.08 O68.8 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.13306","","0.30104","","7.727","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236529","18.626","0.02","18.626","0.02","18.088","0.018","90","","90","","90","","6275","11","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHEt","","- C1.785 N0.315 O2.148 Ti0.25 -","- C1.785 N0.315 O2.4 Ti0.25 -","- C57.12 N10.08 O76.8 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.08551","","0.19468","","6.346","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236530","18.675","0.023","18.675","0.023","18.147","0.022","90","","90","","90","","6329","13","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHCy","","- C3.345 N0.315 O2.019 Ti0.25 -","- C3.345 N0.315 O2.02375 Ti0.25 -","- C107.04 N10.08 O64.76 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.05597","","0.1275","","3.563","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236531","18.854","0.027","18.854","0.027","18.292","0.023","90","","90","","90","","6502","16","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHhep","","- C3.735 N0.315 O2.361 Ti0.25 -","- C3.67 N0.315 O2.36 Ti0.25 -","- C117.44 N10.08 O75.52 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.09196","","0.15916","","5.623","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236532","18.635","0.016","18.635","0.016","18.131","0.014","90","","90","","90","","6296","9","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHMe","","- C1.395 N0.315 O2.415 Ti0.25 -","- C1.395 N0.315 O2.4135 Ti0.25 -","- C44.64 N10.08 O77.232 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.08686","","0.15433","","6.262","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236533","18.7","0.04","18.7","0.04","18.21","0.04","90","","90","","90","","6368","2","","","300","","","","100","","","","","4","I 4/m m m","-I 4 2","139","","MIL-125-NHBu","","- C2.995 N0.315 O2.833 Ti0.25 -","- C2.995 N0.315 O3.16375 Ti0.25 -","- C95.84 N10.08 O101.24 Ti8 -","32","1","","Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.","Systematic variation of the optical bandgap in titanium based isoreticular metal‒organic frameworks for photocatalytic reduction of CO2 under blue light","Journal of Materials Chemistry A","2017","5","23","11854","","10.1039/C7TA00437K","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.20323","","0.32111","","13.399","","","","","","","has coordinates","236279","2020-10-21","18:00:00",""
"7236534","12.337","0.002","11.4124","0.0019","11.8204","0.0019","90","","100.961","0.006","90","","1633.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N16 O10 -","- C7 H8 N16 O10 -","- C28 H32 N64 O40 -","4","1","","Dharavath, Srinivas; Zhang, Jiaheng; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","5-(Dinitromethyl)-3-(trinitromethyl)-1,2,4-triazole and its derivatives: a new application of oxidative nitration towards gem-trinitro-based energetic materials","Journal of Materials Chemistry A","2017","5","10","4785","","10.1039/C7TA00730B","","","0.71073","MoKα","","0.0556","0.0364","","","0.0921","0.0984","","","","","","0.983","","","","has coordinates","236281","2020-10-21","18:00:00",""
"7236535","17.4999","0.0015","22.61","0.003","19.1969","0.0016","90","","105.599","0.01","90","","7315.9","1.4","293","2","293","2","","","","","","","Synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H90 N12 O38 Zn3 -","- C55 H90 N12 O38 Zn3 -","- C220 H360 N48 O152 Zn12 -","4","0.5","","Pandey, Vinay Kumar; Dixit, Manish Kumar; Manneville, Sébastien; Bucher, Christophe; Dubey, Mrigendra","A multi-stimuli responsive conductive sonometallogel: a mechanistic insight into the role of ultrasound in gelation","Journal of Materials Chemistry A","2017","5","13","6211","","10.1039/C7TA00854F","","","0.71073","MoKα","","0.1338","0.1025","","","0.2907","0.3597","","","","","","1.209","","","","has coordinates,has disorder","236283","2020-10-21","18:00:00",""
"7236536","19.658","0.006","9.753","0.003","8.341","0.003","90","","98.571","0.004","90","","1581.3","0.9","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H2 F12 Fe O8 -","- C8 H2 F12 Fe O8 -","- C32 H8 F48 Fe4 O32 -","4","0.5","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.058","0.0508","","","0.1333","0.1408","","","","","","1.08","","","","has coordinates,has disorder","236285","2020-10-21","18:00:00",""
"7236537","8.136","0.0004","9.0331","0.0007","9.2695","0.0005","75.139","0.006","64.574","0.006","71.426","0.006","577.48","0.07","103","5","103","5","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Co F6 O8 -","- C4 H8 Co F6 O8 -","- C8 H16 Co2 F12 O16 -","2","1","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.0413","0.0308","","","0.0694","0.0712","","","","","","0.985","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236538","10.3229","0.0017","13.518","0.002","13.94","0.002","105.172","0.002","111.289","0.002","107.081","0.002","1577.4","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H4 F24 Mn2 O16 -","- C16 H4 F24 Mn2 O16 -","- C32 H8 F48 Mn4 O32 -","2","1","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.0708","0.0473","","","0.1126","0.1262","","","","","","1.028","","","","has coordinates,has disorder","236285","2020-10-21","18:00:00",""
"7236539","9.7505","0.0011","21.236","0.002","16.0879","0.0018","90","","91.358","0.002","90","","3330.3","0.6","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H F24 Fe3 O17 -","- C16 F24 Fe3 O17 -","- C64 F96 Fe12 O68 -","4","1","","Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V.; Wörle, Michael; Bodnarchuk, Maryna I.; Kovalenko, Maksym V.","Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties","Journal of Materials Chemistry A","2017","5","16","7383","","10.1039/C7TA00862G","","x-ray","0.71073","MoKα","","0.0884","0.071","","","0.1542","0.1632","","","","","","1.154","","","","has coordinates,has disorder","236285","2020-10-21","18:00:00",""
"7236540","18.409","0.006","11.458","0.004","33.879","0.01","90","","100.97","0.004","90","","7016","4","296","2","296.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C126 H88 Mo12 N42 O42 P Zn4 -","- C126 H88 Mo12 N42 O42 P Zn4 -","- C252 H176 Mo24 N84 O84 P2 Zn8 -","2","0.5","","Huang, Qing; Wei, Tao; Zhang, Mi; Dong, Long-Zhang; Zhang, A-Man; Li, Shun-Li; Liu, Wen-Jing; Liu, Jiang; Lan, Ya-Qian","A highly stable polyoxometalate-based metal‒organic framework with π‒π stacking for enhancing lithium ion battery performance","Journal of Materials Chemistry A","2017","5","18","8477","","10.1039/C7TA00900C","","x-ray","0.71073","MoKα","","0.1087","0.0637","","","0.1619","0.1751","","","","","","1.036","","","","has coordinates","236288","2020-10-21","18:00:00",""
"7236541","54.438","0.002","14.5003","0.0006","39.5817","0.0017","90","","128.01","0.001","90","","24617.6","1.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 Mo12 N6 O48 P Zn4 -","- C32 H18 Mo12 N6 O48 P Zn4 -","- C256 H144 Mo96 N48 O384 P8 Zn32 -","8","1","","Huang, Qing; Wei, Tao; Zhang, Mi; Dong, Long-Zhang; Zhang, A-Man; Li, Shun-Li; Liu, Wen-Jing; Liu, Jiang; Lan, Ya-Qian","A highly stable polyoxometalate-based metal‒organic framework with π‒π stacking for enhancing lithium ion battery performance","Journal of Materials Chemistry A","2017","5","18","8477","","10.1039/C7TA00900C","","x-ray","0.71073","MoKα","","0.1406","0.1331","","","0.2917","0.297","","","","","","1.137","","","","has coordinates","236288","2020-10-21","18:00:00",""
"7236542","24.7816","0.0004","47.538","0.0008","15.4054","0.0003","90","","90","","90","","18148.6","0.6","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Ferrocene-Co-corrole","","- C60 H42 Co Fe N4 O P -","- C60 H42 Co Fe N4 O P -","- C960 H672 Co16 Fe16 N64 O16 P16 -","16","1","","Samireddi, Satyanarayana; Shown, Indrajit; Shen, Tzu-Hsien; Huang, Hsin-Chih; Wong, Ken-Tsung; Chen, Li-Chyong; Chen, Kuei-Hsien","Hybrid bimetallic-N4 electrocatalyst derived from a pyrolyzed ferrocene‒Co-corrole complex for oxygen reduction reaction","Journal of Materials Chemistry A","2017","5","19","9279","","10.1039/C7TA00949F","","","1.54178","CuKα","","0.0634","0.0551","","","0.1407","0.1483","","","","","","1.024","","","","has coordinates,has disorder","236290","2020-10-21","18:00:00",""
"7236543","26.787","0.004","15.382","0.002","20.723","0.003","90","","118.439","0.003","90","","7508.3","1.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 N3 O6 -","- C42 H33 N3 O6 -","- C336 H264 N24 O48 -","8","1","","Samanta, Partha; Desai, Aamod V.; Anothumakkool, Bihag; Shirolkar, Mandar M.; Karmakar, Avishek; Kurungot, Sreekumar; Ghosh, Sujit K.","Enhanced proton conduction by post-synthetic covalent modification in a porous covalent framework","Journal of Materials Chemistry A","2017","5","26","13659","","10.1039/C7TA00964J","","","0.71073","MoKα","","0.1509","0.125","","","0.3296","0.3445","","","","","","0.958","","","","has coordinates","236292","2020-10-21","18:00:00",""
"7236544","14.7811","0.0005","38.2896","0.0013","16.6609","0.0006","90","","94.001","0.002","90","","9406.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn-PDA2","","- C72 H60 N6 O20 Zn4 -","- C72 H60 N6 O20 Zn4 -","- C288 H240 N24 O80 Zn16 -","4","1","","Wu, Pengyan; Jiang, Min; Li, Yang; Liu, Yanhong; Wang, Jian","Highly efficient photocatalytic hydrogen production from pure water via a photoactive metal‒organic framework and its PDMS@MOF","Journal of Materials Chemistry A","2017","5","17","7833","","10.1039/C7TA01070B","","","0.71073","MoKα","","0.0967","0.0733","","","0.2149","0.2288","","","","","","0.963","","","","has coordinates,has disorder","236294","2020-10-21","18:00:00",""
"7236545","12.6446","0.0006","14.4368","0.0007","7.7331","0.0004","90","","96.954","0.002","90","","1401.27","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C24 H40 N56 O24 -","8","2","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","High-performing and thermally stable energetic 3,7-diamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole derivatives","Journal of Materials Chemistry A","2017","5","13","6100","","10.1039/C7TA01111C","","","0.71073","MoKα","","0.0545","0.0367","","","0.0928","0.1011","","","","","","1.062","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236546","12.9443","0.0006","22.3674","0.001","6.8059","0.0003","90","","103.6","0.002","90","","1915.26","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N20 O7 -","- C8 H16 N20 O7 -","- C32 H64 N80 O28 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","High-performing and thermally stable energetic 3,7-diamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole derivatives","Journal of Materials Chemistry A","2017","5","13","6100","","10.1039/C7TA01111C","","","0.71073","MoKα","","0.0699","0.0387","","","0.085","0.0963","","","","","","1.02","","","","has coordinates","236296","2020-10-21","18:00:00",""
"7236547","17.783","0.003","17.783","0.003","12.889","0.002","90","","90","","120","","3529.9","1","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H78 Ca Cu6 N6 O34 -","- C36 H48 Ca Cu6 N6 O34 -","- C72 H96 Ca2 Cu12 N12 O68 -","2","0.333333","","Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio","Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs","Journal of Materials Chemistry A","2017","5","22","11032","","10.1039/C7TA01179B","","","0.71073","MoKα","","0.2383","0.096","","","0.229","0.3194","","","","","","1.008","","","","has coordinates","236298","2020-10-21","18:00:00",""
"7236548","17.603","0.006","17.603","0.006","13.045","0.004","90","","90","","120","","3501","2","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H86 Ca Cu6 N6 O32 -","- C40 H53.9997 Ca Cu6 N6 O28 -","- C80 H107.999 Ca2 Cu12 N12 O56 -","2","0.333333","","Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio","Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs","Journal of Materials Chemistry A","2017","5","22","11032","","10.1039/C7TA01179B","","","0.71073","MoKα","","0.1175","0.071","","","0.181","0.2043","","","","","","0.959","","","","has coordinates","236298","2020-10-21","18:00:00",""
"7236549","10.8777","0.001","11.758","0.0012","15.752","0.0013","80.409","0.007","86.674","0.007","68.799","0.009","1852.1","0.3","100","0.16","100","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N17 O2 -","- C28 H35 N17 O2 -","- C56 H70 N34 O4 -","2","1","","Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin","A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules","Journal of Materials Chemistry A","2017","5","18","8292","","10.1039/C7TA01364G","","","1.54184","CuKα","","0.1386","0.1037","","","0.2951","0.3184","","","","","","1.332","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236550","11.3535","0.0009","11.3535","","11.701","0.0012","90","","90","","120","","1306.21","0.17","298","","298","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C18 H21 N15 -","- C18 H21 N15 -","- C36 H42 N30 -","2","0.166667","","Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin","A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules","Journal of Materials Chemistry A","2017","5","18","8292","","10.1039/C7TA01364G","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.08038","","1.44","","","","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236551","10.7844","0.0013","11.6088","0.001","15.9757","0.0014","79.642","0.007","86.726","0.009","69.981","0.009","1848.6","0.3","100","0.16","100","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N15 O2 S0 -","- C18 H25 N15 O2 -","- C36 H50 N30 O4 -","2","1","","Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin","A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules","Journal of Materials Chemistry A","2017","5","18","8292","","10.1039/C7TA01364G","","","1.54184","CuKα","","0.0899","0.0732","","","0.2107","0.2289","","","","","","1.084","","","","has coordinates","236300","2020-10-21","18:00:00",""
"7236552","7.9719","0.0003","7.8194","0.0003","38.2632","0.0016","90","","90","","90","","2385.15","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.1074","0.074","","","0.2361","0.278","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236553","7.4425","0.0003","7.545","0.0003","10.892","0.0005","100.835","0.003","96.718","0.004","113.445","0.003","538.5","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0645","0.0554","","","0.1559","0.1699","","","","","","1.022","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7236554","4.6524","0.0002","19.8872","0.0008","21.2306","0.0008","90","","100.61","0.003","90","","1930.74","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0786","0.0509","","","0.1382","0.1608","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236555","15.601","0.014","5.347","0.006","17.88","0.02","90","","124.97","0.07","90","","1222","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O2 -","- C12 H10 Br N O2 -","- C48 H40 Br4 N4 O8 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.1624","0.0763","","","0.1872","0.2275","","","","","","0.845","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236556","9.2759","0.0005","8.5195","0.0004","21.3359","0.001","90","","93.68","0.003","90","","1682.61","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N2 O5 -","- C17 H17 N2 O5 -","- C68 H68 N8 O20 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0745","0.0621","","","0.1709","0.1831","","","","","","1.066","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236557","12.2298","0.0018","25.203","0.003","20.219","0.002","90","","90","","90","","6232.1","1.3","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H16 In N4 O8 -","- C28 H16 In N4 O8 -","- C112 H64 In4 N16 O32 -","4","0.5","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0833","0.049","","","0.1161","0.1242","","","","","","0.928","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236558","4.0497","0.0019","10.774","0.005","13.882","0.006","103.934","0.008","96.959","0.009","91.161","0.009","582.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C24 H20 N4 O8 -","2","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.3788","0.1114","","","0.2049","0.2493","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236559","6.8919","0.0008","17.956","0.003","9.5863","0.0012","90","","95.958","0.009","90","","1179.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F N O2 -","- C12 H10 F N O2 -","- C48 H40 F4 N4 O8 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.1229","0.0906","","","0.2792","0.318","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236560","14.903","0.007","5.3559","0.0017","17.777","0.008","90","","124.5","0.03","90","","1169.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl N O2 -","- C12 H10 Cl N O2 -","- C48 H40 Cl4 N4 O8 -","4","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0983","0.0539","","","0.1368","0.1653","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236561","6.3191","0.0002","6.3191","0.0002","6.3191","0.0002","90","","90","","90","","252.328","0.014","300","0.1","300","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","?CH3NH3?0.85[CH(NH2)2]0.15PbI3","","- C H5.85 I3 N1.15 Pb -","- C I3 N1.14 Pb -","- C I3 N1.14 Pb -","1","0.0208333","","Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping","The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals","Journal of Materials Chemistry A","2017","5","18","8537","","10.1039/C7TA01441D","","","0.71073","MoKα","","0.0259","0.0259","","","0.0608","0.0608","","","","","","1.182","","","","has coordinates","236305","2020-10-21","18:00:00",""
"7236562","6.3749","0.0004","6.3749","0.0004","6.3749","0.0004","90","","90","","90","","259.07","0.03","300","0.1","300","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","[CH(NH2)2]0.85[CH3NH3]0.15PbI3","","- C H5.15 I3 N1.85 Pb -","- C I3 N1.86 Pb -","- C I3 N1.86 Pb -","1","0.0208333","","Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping","The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals","Journal of Materials Chemistry A","2017","5","18","8537","","10.1039/C7TA01441D","","","0.71073","MoKα","","0.0281","0.0281","","","0.0595","0.0595","","","","","","1.199","","","","has coordinates","236305","2020-10-21","18:00:00",""
"7236563","6.3691","0.0002","6.3691","0.0002","6.3691","0.0002","90","","90","","90","","258.365","0.014","300","2","300","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","Formamidinium Lead Iodide","","- C H5 I3 N2 Pb -","- C I3 N2.04 Pb -","- C I3 N2.04 Pb -","1","0.0416667","","Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping","The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals","Journal of Materials Chemistry A","2017","5","18","8537","","10.1039/C7TA01441D","","","0.71073","MoKα","","0.0125","0.0125","","","0.0343","0.0343","","","","","","1.235","","","","has coordinates","236305","2020-10-21","18:00:00",""
"7236564","15.673","0.004","15.378","0.004","15.991","0.004","90","","95.467","0.003","90","","3836.6","1.7","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H48 Co4 N12 O16 -","- C72 H48 Co4 N12 O16 -","- C144 H96 Co8 N24 O32 -","2","0.5","","Chen, Wen-Miao; Meng, Xiao-Ling; Zhuang, Gui-Lin; Wang, Zhi; Kurmoo, Mohamedally; Zhao, Quan-Qin; Wang, Xing-Po; Shan, Bairong; Tung, Chen-Ho; Sun, Di","A superior fluorescent sensor for Al3+ and UO22+ based on a Co(ii) metal‒organic framework with exposed pyrimidyl Lewis base sites","Journal of Materials Chemistry A","2017","5","25","13079","","10.1039/C7TA01546A","","","0.71073","MoKα","","0.0988","0.0616","","","0.1539","0.1705","","","","","","1.046","","","","has coordinates","236307","2020-10-21","18:00:00",""
"7236565","19.8841","0.0001","19.8841","0.0001","19.8841","0.0001","90","","90","","90","","7861.72","0.07","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C36 H25 O8 Pb6 S12 -","- C36 H24.3334 O8 Pb6 S12 -","- C144 H97.3336 O32 Pb24 S48 -","4","0.166667","","Huang, Jiahong; He, Yonghe; Yao, Ming-Shui; He, Jun; Xu, Gang; Zeller, Matthias; Xu, Zhengtao","A semiconducting gyroidal metal-sulfur framework for chemiresistive sensing","Journal of Materials Chemistry A","2017","5","31","16139","","10.1039/C7TA02069D","","","1.54178","CuKα","","0.0699","0.0574","","","0.1424","0.1535","","","","","","1.087","","","","has coordinates,has disorder","236309","2020-10-21","18:00:00",""
"7236566","7.5171","0.0004","12.3224","0.0006","13.2336","0.0006","89.038","0.002","73.997","0.002","87.037","0.002","1176.73","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 B F N7 -","- C28 H24 B F N7 -","- C56 H48 B2 F2 N14 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.099","0.0646","","","0.1733","0.1888","","","","","","1.054","","","","has coordinates","236312","2020-10-21","18:00:00",""
"7236567","9.0354","0.0004","11.8886","0.0005","13.4146","0.0006","102.045","0.003","108.397","0.003","99.521","0.003","1295.03","0.11","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H25 N5 -","- C34 H25 N5 -","- C68 H50 N10 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.0922","0.0427","","","0.0806","0.0937","","","","","","0.923","","","","has coordinates","236312","2020-10-21","18:00:00",""
"7236568","10.3714","0.0019","11.612","0.002","13.514","0.003","104.995","0.007","111.124","0.006","91.603","0.007","1453.1","0.5","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 B F2 N3 S2 Si2 -","- C30 H30 B F2 N3 S2 Si2 -","- C60 H60 B2 F4 N6 S4 Si4 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.0672","0.0426","","","0.0998","0.1125","","","","","","1.034","","","","has coordinates","236312","2020-10-21","18:00:00",""
"7236569","10.9204","0.0011","11.8225","0.0012","12.8908","0.0013","85.313","0.004","73.628","0.003","65.884","0.003","1456.4","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 B F2 N5 -","- C34 H24 B F2 N5 -","- C68 H48 B2 F4 N10 -","2","1","","Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl","Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells","Journal of Materials Chemistry A","2017","5","21","10696","","10.1039/C7TA02133J","","x-ray","0.71073","MoKα","","0.1005","0.0709","","","0.1982","0.2122","","","","","","1.046","","","","has coordinates,has disorder","236312","2020-10-21","18:00:00",""
"7236570","11.5408","0.0008","11.6206","0.0008","18.3621","0.0012","90","","90","","90","","2462.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N11 O5 -","- C8 H3 N11 O5 -","- C64 H24 N88 O40 -","8","1","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.1102","0.0607","","","0.1218","0.143","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236571","8.3476","0.0006","9.6589","0.0007","9.7715","0.0008","105.546","0.003","97.6","0.002","111.74","0.002","681.05","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N12 O6 -","- C8 H6 N12 O6 -","- C16 H12 N24 O12 -","2","1","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.1033","0.0558","","","0.1018","0.1202","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236572","4.7289","0.0006","10.5845","0.0012","14.3425","0.0019","90","","90.185","0.005","90","","717.88","0.15","172","2","172","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N12 O6 -","- C8 H8 N12 O6 -","- C16 H16 N24 O12 -","2","0.5","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.0855","0.0494","","","0.0939","0.1049","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236573","15.8351","0.0017","7.8057","0.0008","12.8372","0.0011","90","","108.495","0.004","90","","1504.8","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N14 O6 -","- C8 H12 N14 O6 -","- C32 H48 N56 O24 -","4","0.5","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.068","0.0431","","","0.0956","0.1063","","","","","","1.044","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236574","4.588","0.0004","11.0597","0.001","14.3951","0.0011","90","","91.645","0.005","90","","730.13","0.11","172","2","172","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N12 O7 -","- C8 H8 N12 O7 -","- C16 H16 N24 O14 -","2","0.5","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.0701","0.044","","","0.0828","0.0919","","","","","","1.044","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236575","38.042","0.005","47.94","0.005","31.301","0.004","90","","118.75","0.003","90","","50048","11","153","2","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C111.82 H58 In3 N8 O24 -","- C111.83 H58 In3 N8 O24 -","- C894.64 H464 In24 N64 O192 -","8","1","","Li, Qing; Xue, Dong-Xu; Zhang, Yu-Feng; Zhang, Zong-Hui; Gao, Ziwei; Bai, Junfeng","A dual-functional indium‒organic framework towards organic pollutant decontamination via physically selective adsorption and chemical photodegradation","Journal of Materials Chemistry A","2017","5","27","14182","","10.1039/C7TA02216F","","","0.71073","MoKα","","0.1417","0.1123","","","0.2966","0.332","","","","","","1.032","","","","has coordinates,has disorder","236315","2020-10-21","18:00:00",""
"7236576","22.0442","0.0011","66.069","0.003","22.1563","0.0011","90","","106.575","0.004","90","","30928","3","130.15","","130.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 B2 F48 Mg O14 -","- C36 H38 B2 F48 Mg O14 -","- C720 H760 B40 F960 Mg20 O280 -","20","2.5","","Zhao-Karger, Zhirong; Gil Bardaji, Maria Elisa; Fuhr, Olaf; Fichtner, Maximilian","A new class of non-corrosive, highly efficient electrolytes for rechargeable magnesium batteries","Journal of Materials Chemistry A","2017","5","22","10815","","10.1039/C7TA02237A","","x-ray","1.54186","CuKα","","0.1321","0.1032","","","0.2149","0.2278","","","","","","1.111","","","","has coordinates,has disorder","236318","2020-10-21","18:00:00",""
"7236577","19.7011","0.0009","10.5118","0.0005","17.6789","0.0008","90","","107.472","0.001","90","","3492.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N0 Na0 O10 Tb -","- C8 H13 O10 Tb -","- C64 H104 O80 Tb8 -","8","1","","Ji, Guanfeng; Liu, Jingjuan; Gao, Xuechuan; Sun, Wei; Wang, JinZeng; Zhao, Shenglu; Liu, ZhiLiang","A luminescent lanthanide MOF for selectively and ultra-high sensitively detecting Pb2+ ions in aqueous solution","Journal of Materials Chemistry A","2017","5","21","10200","","10.1039/C7TA02439H","","","0.71073","MoKα","","0.0242","0.023","","","0.0783","0.0791","","","","","","1.118","","","","has coordinates","236320","2020-10-21","18:00:00",""
"7236578","6.0874","0.0002","19.321","0.0008","8.3437","0.0003","90","","108.255","0.001","90","","931.95","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TNNMP","3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole","","- C4 H2 N6 O8 -","- C4 H2 N6 O8 -","- C16 H8 N24 O32 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole (TNNMP): a perchlorate free high energy density oxidizer with high thermal stability","Journal of Materials Chemistry A","2017","5","21","10437","","10.1039/C7TA02585H","","","0.71073","MoKα","","0.0354","0.0325","","","0.0825","0.0849","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236579","6.7081","0.0002","13.8115","0.0005","9.3931","0.0003","90","","99.282","0.002","90","","858.87","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N6 O6 -","- C4 H4 N6 O6 -","- C16 H16 N24 O24 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole (TNNMP): a perchlorate free high energy density oxidizer with high thermal stability","Journal of Materials Chemistry A","2017","5","21","10437","","10.1039/C7TA02585H","","","1.54178","CuKα","","0.0364","0.0333","","","0.0835","0.0859","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236580","17.7662","0.0012","17.7662","0.0012","26.797","0.002","90","","90","","120","","7325","0.9","296","","296.15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C41 H38 Co3 N5 O10 -","- C36 H27 Co3 N4 O9 -","- C144 H108 Co12 N16 O36 -","4","0.166667","","Zhao, Jiao; Wang, Qi; Sun, Chunyi; Zheng, Tiantian; Yan, Likai; Li, Mengting; Shao, Kuizhan; Wang, Xinlong; Su, Zhongmin","A hexanuclear cobalt metal‒organic framework for efficient CO2 reduction under visible light","Journal of Materials Chemistry A","2017","5","24","12498","","10.1039/C7TA02611K","","","0.71073","MoKα","","0.092","0.0669","","","0.1847","0.2094","","","","","","1.078","","","","has coordinates","236324","2020-10-21","18:00:00",""
"7236581","10.915","0.01","11.321","0.01","14.814","0.012","90","","109.602","0.013","90","","1724","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1198","0.0979","","","0.2912","0.3139","","","","","","1.164","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236582","10.83","0.007","11.889","0.008","14.559","0.009","90","","109.594","0.008","90","","1766","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Cu N2 O4 -","- C11 H6 Cu N2 O4 -","- C44 H24 Cu4 N8 O16 -","4","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1227","0.0899","","","0.2465","0.2592","","","","","","1.01","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236583","10.93","0.03","13.71","0.04","13.47","0.03","90","","111.86","0.03","90","","1873","9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C52 H40 Cu4 N8 O16 -","4","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1831","0.1122","","","0.2809","0.3116","","","","","","1.003","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236584","12.678","0.005","14.408","0.005","20.225","0.007","90","","90","","90","","3694","2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C96 H64 Cu8 N16 O32 -","8","1","","Cheng, Fujun; Li, Qianqian; Duan, Jingui; Hosono, Nobuhiko; Noro, Shin-ichiro; Krishna, Rajamani; Lyu, Hongliang; Kusaka, Shinpei; Jin, Wanqin; Kitagawa, Susumu","Fine-tuning optimal porous coordination polymers using functional alkyl groups for CH4 purification","Journal of Materials Chemistry A","2017","5","34","17874","","10.1039/C7TA02760E","","","0.71073","MoKα","","0.1681","0.1032","","","0.2291","0.2639","","","","","","1.002","","","","has coordinates","236326","2020-10-21","18:00:00",""
"7236585","10.7984","0.0004","12.0726","0.0005","14.4123","0.0006","93.451","0.001","102.587","0.002","112.715","0.001","1669.59","0.12","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H29 Er3 N O26 P -","- C13 H29 Er3 N O26 P -","- C26 H58 Er6 N2 O52 P2 -","2","1","","Liang, Xiaoqiang; Cai, Kun; Zhang, Feng; Liu, Jia; Zhu, Guangshan","A proton-conductive lanthanide oxalatophosphonate framework featuring unique chemical stability: stabilities of bulk phase and surface structure","Journal of Materials Chemistry A","2017","5","48","25350","","10.1039/C7TA03744A","","","0.71073","MoKα","","0.0631","0.0568","","","0.1393","0.1408","","","","","","1.043","","","","has coordinates","236329","2020-10-21","18:00:00",""
"7236586","11.3815","0.0001","20.5728","0.0005","34.5573","0.0005","90","","90","","90","","8091.6","0.2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C15 H12 Co N5 O6 -","- C15 H12 Co N5 O6 -","- C240 H192 Co16 N80 O96 -","16","0.5","","Rajak, Richa; Saraf, Mohit; Mohammad, Akbar; Mobin, Shaikh M.","Design and construction of a ferrocene based inclined polycatenated Co-MOF for supercapacitor and dye adsorption applications","Journal of Materials Chemistry A","2017","5","34","17998","","10.1039/C7TA03773B","","","1.5418","CuKα","","0.0549","0.0463","","","0.1393","0.1472","","","","","","1.104","","","","has coordinates","236331","2020-10-21","18:00:00",""
"7236587","16.027","0.0006","18.4421","0.0007","32.2078","0.0017","90","","90","","90","","9519.7","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H98 Co4 Fe4 N8 O33 -","- C88 H98 Co4 Fe4 N8 O33 -","- C352 H392 Co16 Fe16 N32 O132 -","4","1","","Rajak, Richa; Saraf, Mohit; Mohammad, Akbar; Mobin, Shaikh M.","Design and construction of a ferrocene based inclined polycatenated Co-MOF for supercapacitor and dye adsorption applications","Journal of Materials Chemistry A","2017","5","34","17998","","10.1039/C7TA03773B","","","1.54184","CuKα","","0.3072","0.1322","","","0.2743","0.3831","","","","","","0.965","","","","has coordinates","236331","2020-10-21","18:00:00",""
"7236588","34.284","0.005","14.7645","0.0018","24.392","0.004","90","","127.042","0.003","90","","9855","3","113","2","113.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H134 Br4 Mn Mo6 N7 O26 -","- C74 H134 Br4 Mn Mo6 N7 O26 -","- C296 H536 Br16 Mn4 Mo24 N28 O104 -","4","0.5","","Li, Yusen; Liu, Mingxuan; Chen, Long","Polyoxometalate built-in conjugated microporous polymers for visible-light heterogeneous photocatalysis","Journal of Materials Chemistry A","2017","5","26","13757","","10.1039/C7TA03776G","","","0.71073","MoKα","","0.0929","0.0625","","","0.1579","0.18","","","","","","1.091","","","","has coordinates,has disorder","236332","2020-10-21","18:00:00",""
"7236589","10.9405","0.0012","12.6609","0.0013","17.2175","0.0018","91.149","0.003","96.514","0.003","112.944","0.003","2176.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H32 Cd2 N6 O8 -","- C37 H32 Cd2 N6 O8 -","- C74 H64 Cd4 N12 O16 -","2","1","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0756","0.0524","","","0.1394","0.1486","","","","","","1.193","","","","has coordinates","236334","2020-10-21","18:00:00",""
"7236590","10.764","0.0015","10.8279","0.0015","14.278","0.002","69.098","0.002","85.433","0.003","64.744","0.002","1400.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Cd2 N14 O11 -","- C48 H64 Cd2 N14 O11 -","- C48 H64 Cd2 N14 O11 -","1","0.5","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.051","0.0413","","","0.1149","0.1217","","","","","","1.028","","","","has coordinates","236334","2020-10-21","18:00:00",""
"7236591","9.807","0.0014","13.1382","0.0019","18.607","0.003","89.278","0.002","76.577","0.002","70.256","0.002","2189.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cd2 N6 Na O10 -","- C33 H30 Cd2 N6 Na O10 -","- C66 H60 Cd4 N12 Na2 O20 -","2","1","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0628","0.0445","","","0.1144","0.1239","","","","","","0.992","","","","has coordinates","236334","2020-10-21","18:00:00",""
"7236592","24.068","0.003","10.0444","0.0013","43.667","0.005","90","","92.677","0.002","90","","10545","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Cd2 N6 O8 -","- C41 H36 Cd2 N6 O8 -","- C328 H288 Cd16 N48 O64 -","8","1","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0799","0.0736","","","0.163","0.1673","","","","","","1.219","","","","has coordinates,has disorder","236334","2020-10-21","18:00:00",""
"7236593","25.338","0.006","9.524","0.002","18.12","0.004","90","","129.684","0.003","90","","3365.1","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cd3 N2 O14 -","- C30 H26 Cd3 N2 O14 -","- C120 H104 Cd12 N8 O56 -","4","0.5","","Zhao, Dan; Liu, Xiao-Hui; Zhao, Yue; Wang, Peng; Liu, Yi; Azam, Mohammad; Al-Resayes, Saud I.; Lu, Yi; Sun, Wei-Yin","Luminescent Cd(ii)‒organic frameworks with chelating NH2 sites for selective detection of Fe(iii) and antibiotics","Journal of Materials Chemistry A","2017","5","30","15797","","10.1039/C7TA03849F","","","0.71073","MoKα","","0.0359","0.0288","","","0.0835","0.0876","","","","","","1.133","","","","has coordinates,has disorder","236334","2020-10-21","18:00:00",""
"7236594","33.0267","0.0005","33.0267","0.0005","9.1815","0.0003","90","","90","","120","","8673.1","0.3","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","","BUT-83","","- C44 H24 Co N6 O4 -","- C44 H24 Co N6 O4 -","- C396 H216 Co9 N54 O36 -","9","0.5","","Wu, Hao; Yang, Fan; Lv, Xiu-Liang; Wang, Bin; Zhang, Yong-Zheng; Zhao, Min-Jian; Li, Jian-Rong","A stable porphyrinic metal‒organic framework pore-functionalized by high-density carboxylic groups for proton conduction","Journal of Materials Chemistry A","2017","5","28","14525","","10.1039/C7TA03917D","","x-ray","1.54178","CuKα","","0.124","0.0792","","","0.2131","0.2607","","","","","","1.064","","","","has coordinates","236337","2020-10-21","18:00:00",""
"7236595","14.185","0.002","10.6148","0.0016","30.936","0.005","90","","90","","90","","4658.1","1.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B10 N4 -","- C14 H36 B10 N4 -","- C112 H288 B80 N32 -","8","1","","Jiao, Nianming; Zhang, Yanqiang; Liu, Long; Shreeve, Jean'ne M.; Zhang, Suojiang","Hypergolic fuels based on water-stable borohydride cluster anions with ultralow ignition delay times","Journal of Materials Chemistry A","2017","5","26","13341","","10.1039/C7TA04038E","","","0.71073","MoKα","","0.0648","0.0594","","","0.1602","0.1653","","","","","","1.003","","","","has coordinates,has disorder","236339","2020-10-21","18:00:00",""
"7236596","8.616","0.0017","17.164","0.003","15.238","0.003","90","","99.15","0.03","90","","2224.8","0.8","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H43 B6 N -","- C16 H43 B6 N -","- C64 H172 B24 N4 -","4","1","","Jiao, Nianming; Zhang, Yanqiang; Liu, Long; Shreeve, Jean'ne M.; Zhang, Suojiang","Hypergolic fuels based on water-stable borohydride cluster anions with ultralow ignition delay times","Journal of Materials Chemistry A","2017","5","26","13341","","10.1039/C7TA04038E","","","0.71073","MoKα","","0.0878","0.0766","","","0.1758","0.1911","","","","","","1.218","","","","has coordinates","236339","2020-10-21","18:00:00",""
"7236597","9.6","0.003","10.708","0.003","11.824","0.003","90","","98.996","0.003","90","","1200.5","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H38 B12 N4 -","- C14 H38 B12 N4 -","- C28 H76 B24 N8 -","2","0.5","","Jiao, Nianming; Zhang, Yanqiang; Liu, Long; Shreeve, Jean'ne M.; Zhang, Suojiang","Hypergolic fuels based on water-stable borohydride cluster anions with ultralow ignition delay times","Journal of Materials Chemistry A","2017","5","26","13341","","10.1039/C7TA04038E","","","0.71073","MoKα","","0.0565","0.0476","","","0.1056","0.1112","","","","","","1.001","","","","has coordinates","236339","2020-10-21","18:00:00",""
"7236598","17.452","0.01","17.834","0.01","20.187","0.011","106.59","0.008","100.966","0.009","109.185","0.007","5400","5","90","","90","","","","","","","","","6","P -1","-P 1","2","C6-DPP-CP","","","- C117 H132 Cl9 N8 O4 S4 -","- C117 H132 Cl9 N8 O4 S4 -","- C234 H264 Cl18 N16 O8 S8 -","2","1","","Takahashi, Kohtaro; Kumagai, Daichi; Yamada, Naoya; Kuzuhara, Daiki; Yamaguchi, Yuji; Aratani, Naoki; Koganezawa, Tomoyuki; Koshika, Sota; Yoshimoto, Noriyuki; Masuo, Sadahiro; Suzuki, Mitsuharu; Nakayama, Ken-ichi; Yamada, Hiroko","Side-chain engineering in a thermal precursor approach for efficient photocurrent generation","Journal of Materials Chemistry A","2017","5","27","14003","","10.1039/C7TA04162D","","","0.71073","MoKα","","0.1978","0.1093","","","0.273","0.3568","","","","","","1.047","","","","has coordinates","236341","2020-10-21","18:00:00",""
"7236599","4.481","0.003","13.193","0.009","22.544","0.015","90","","89.879","0.013","90","","1332.7","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bz-Pb-I","","- C6 H9 I3 N O Pb -","- C6 H7 I3 N O Pb -","- C24 H28 I12 N4 O4 Pb4 -","4","1","","Tathavadekar, Mukta; Krishnamurthy, Shrreya; Banerjee, Aparna; Nagane, Satyawan; Gawli, Yogesh; Suryawanshi, Anil; Bhat, Suresh; Puthusseri, Dhanya; Mohite, Aditya D.; Ogale, Satishchandra","Low-dimensional hybrid perovskites as high performance anodes for alkali-ion batteries","Journal of Materials Chemistry A","2017","5","35","18634","","10.1039/C7TA04529H","","","0.71073","MoKα","","0.074","0.0722","","","0.1792","0.1798","","","","","","1.387","","","","has coordinates,has disorder","236343","2020-10-21","18:00:00",""
"7236600","8.2438","0.0012","31.628","0.004","17.204","0.002","90","","93.388","0.002","90","","4477.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MPHII","3-methyl-1-phenyl-1H-imidazol-3-ium iodide","","- C10 H11 I N2 -","- C10 H11 I N2 -","- C160 H176 I16 N32 -","16","4","","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","","0.099","0.0699","","","0.1785","0.19","","","","","","1.108","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236601","19.028","0.006","7.932","0.003","13.915","0.005","90","","90","","90","","2100.2","1.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","MT3II","3-methyl-1-(thiophen-3-yl)-1H-imidazol-3-ium iodide","","- 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","","0.034","0.03","","","0.0842","0.0866","","","","","","1.091","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"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",""
"7236603","21.074","0.0019","21.074","0.0019","12.766","0.002","90","","90","","90","","5669.6","1.1","296","2","296","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C16 H8 Cu10 N24 O40 P W12 -","- C16 H8 Cu10 N24 O40 P W12 -","- C64 H32 Cu40 N96 O160 P4 W48 -","4","0.125","","Zhu, Pei-Pei; Sheng, Ning; Li, Meng-Ting; Li, Ji-Sen; Liu, Guo-Dong; Yang, Xi-Ya; Sha, Jing-Quan; Zhu, Meng-Liang; Jiang, Jianzhuang","Fabrication and electrochemical performance of unprecedented POM-based metal‒carbene frameworks","Journal of Materials Chemistry A","2017","5","34","17920","","10.1039/C7TA05254E","","","0.71073","MoKα","","0.0501","0.0414","","","0.107","0.1176","","","","","","1.116","","","","has coordinates","236348","2020-10-21","18:00:00",""
"7236604","21.0434","0.0008","21.0434","0.0008","12.7594","0.0009","90","","90","","90","","5650.2","0.5","296","2","296","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C16 H8 Cu10 N24 O40 Si W12 -","- C16 H8 Cu10 N24 O40 Si W12 -","- C64 H32 Cu40 N96 O160 Si4 W48 -","4","0.125","","Zhu, Pei-Pei; Sheng, Ning; Li, Meng-Ting; Li, Ji-Sen; Liu, Guo-Dong; Yang, Xi-Ya; Sha, Jing-Quan; Zhu, Meng-Liang; Jiang, Jianzhuang","Fabrication and electrochemical performance of unprecedented POM-based metal‒carbene frameworks","Journal of Materials Chemistry A","2017","5","34","17920","","10.1039/C7TA05254E","","","0.71073","MoKα","","0.0235","0.0221","","","0.0575","0.0581","","","","","","1.162","","","","has coordinates","236348","2020-10-21","18:00:00",""
"7236605","17.631","0.002","18.379","0.003","24.555","0.003","91.948","0.006","98.062","0.006","114.16","0.005","7151.2","1.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 N8 Ni O4 -","- C84 H70 N8 Ni O4 -","- C336 H280 N32 Ni4 O16 -","4","2","","Mishra, Ruchika; Regar, Ramprasad; Singhal, Rahul; Panini, Piyush; Sharma, Ganesh D.; Sankar, Jeyaraman","Porphyrin based push‒pull conjugates as donors for solution-processed bulk heterojunction solar cells: a case of metal-dependent power conversion efficiency","Journal of Materials Chemistry A","2017","5","30","15529","","10.1039/C7TA05338J","","","0.71073","MoKα","","0.3073","0.1506","","","0.3299","0.3937","","","","","","1.059","","","","has coordinates","236350","2020-10-21","18:00:00",""
"7236606","5.8835","0.0003","16.3726","0.0007","10.507","0.0004","90","","98.424","0.001","90","","1001.2","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 N12 O2 -","- C3 H10 N12 O2 -","- C12 H40 N48 O8 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0324","0.0303","","","0.0798","0.0818","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236607","15.6803","0.0006","6.6171","0.0003","17.0112","0.0007","90","","115.87","0.001","90","","1588.17","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(1-((1H-tetrazol-5-yl)methyl)-1H-tetrazol-5(4H)-ylidene)nitramide","","- C3 H4 N10 O2 -","- C3 H4 N10 O2 -","- C24 H32 N80 O16 -","8","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0385","0.0336","","","0.0863","0.0899","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236608","6.8412","0.0002","16.3568","0.0004","17.7892","0.0004","90","","91.272","0.001","90","","1990.12","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N26 O2 -","- C9 H16 N26 O2 -","- C36 H64 N104 O8 -","4","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0463","0.037","","","0.0922","0.0977","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236609","4.94","0.003","5.906","0.004","12.109","0.007","97.538","0.009","90.277","0.008","105.359","0.009","337.4","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1-((1H-tetrazol-5-yl)methyl)-1H-tetrazol-5-amine","","- C3 H5 N9 -","- C3 H5 N9 -","- C6 H10 N18 -","2","1","","Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds","Journal of Materials Chemistry A","2017","5","32","16767","","10.1039/C7TA05394K","","","0.71073","MoKα","","0.0332","0.0293","","","0.0676","0.0725","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236610","8.1638","0.001","12.1332","0.0016","16.74","0.002","90","","99.227","0.009","90","","1636.7","0.4","140","","140","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Co N10 O14 -","- C6 H12 Co N10 O14 -","- C24 H48 Co4 N40 O56 -","4","2","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.0768","0.0518","","","0.1211","0.1336","","","","","","1.026","","","","has coordinates","236355","2020-10-21","18:00:00",""
"7236611","5.1863","0.0004","16.5502","0.0014","10.248","0.0009","90","","93.952","0.004","90","","877.54","0.13","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cu N10 O14 -","- C6 H12 Cu N10 O14 -","- C12 H24 Cu2 N20 O28 -","2","0.5","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.035","0.0301","","","0.0883","0.0909","","","","","","1.093","","","","has coordinates","236355","2020-10-21","18:00:00",""
"7236612","10.724","0.002","8.2255","0.0019","12.527","0.003","90","","103.154","0.005","90","","1076","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Ag N6 O5 -","- C6 H7 Ag N6 O5 -","- C24 H28 Ag4 N24 O20 -","4","1","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.0376","0.0296","","","0.0762","0.0805","","","","","","1.032","","","","has coordinates","236355","2020-10-21","18:00:00",""
"7236613","8.6085","0.0012","8.3879","0.001","8.7084","0.0012","90","","99.777","0.005","90","","619.68","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Ag2 N10 O8 -","- C6 Ag2 N10 O8 -","- C12 Ag4 N20 O16 -","2","0.5","","Shen, Cheng; Xu, Yuan-gang; Lu, Ming","A series of high-energy coordination polymers with 3,6-bis(4-nitroamino-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine, a ligand with multi-coordination sites, high oxygen content and detonation performance: syntheses, structures, and performance","Journal of Materials Chemistry A","2017","5","35","18854","","10.1039/C7TA05479C","","","0.71073","MoKα","","0.0724","0.0399","","","0.0566","0.0631","","","","","","1.049","","","","has coordinates,has disorder","236355","2020-10-21","18:00:00",""
"7236614","27.315","0.005","14.9299","0.0029","16.5157","0.0029","90","","110.786","0.011","90","","6297","2","297","","297","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24.43 H16 Cu D2.43 F6 N4 O6 S2 -","- C24.434 H16 Cu D2.434 F6 N4 O6 S2 -","- C195.472 H128 Cu8 D19.472 F48 N32 O48 S16 -","8","1","","Li, Libo; Lin, Rui-Biao; Krishna, Rajamani; Wang, Xiaoqing; Li, Bin; Wu, Hui; Li, Jinping; Zhou, Wei; Chen, Banglin","Efficient separation of ethylene from acetylene/ethylene mixtures by a flexible-robust metal‒organic framework","Journal of Materials Chemistry A","2017","5","36","18984","","10.1039/C7TA05598F","powder diffraction","neutron","2.0775","","","","","","","","","0.16371","","1.32","","","","","","","has coordinates","236357","2020-10-21","18:00:00",""
"7236615","12.9644","0.0012","13.163","0.0012","23.03","0.002","90","","104.724","0.003","90","","3801","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Br O11 Ti2 -","- C36 H45 Br O11 Ti2 -","- C144 H180 Br4 O44 Ti8 -","4","1","","Guo, Yao; Hou, Jin-Le; Luo, Wen; Li, Zhao-Qi; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","Effects of co-coordinated auxiliary ligands on the photoelectrochemical behaviour of titanium-alkoxide-dyes","Journal of Materials Chemistry A","2017","5","34","18270","","10.1039/C7TA05639G","","","0.71073","MoKα","","0.098","0.0543","","","0.094","0.1345","","","","","","1.124","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236616","9.6859","0.0003","21.755","0.0006","19.0222","0.0005","90","","93.686","0.003","90","","4000","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 N O13 Ti2 -","- C36 H45 N O13 Ti2 -","- C144 H180 N4 O52 Ti8 -","4","1","","Guo, Yao; Hou, Jin-Le; Luo, Wen; Li, Zhao-Qi; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","Effects of co-coordinated auxiliary ligands on the photoelectrochemical behaviour of titanium-alkoxide-dyes","Journal of Materials Chemistry A","2017","5","34","18270","","10.1039/C7TA05639G","","","0.71073","MoKα","","0.1144","0.0665","","","0.1243","0.1442","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236617","9.6424","0.0013","21.475","0.003","18.64","0.002","90","","96.606","0.004","90","","3834.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 F O11 Ti2 -","- C36 H38 F O11 Ti2 -","- C144 H152 F4 O44 Ti8 -","4","1","","Guo, Yao; Hou, Jin-Le; Luo, Wen; Li, Zhao-Qi; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie","Effects of co-coordinated auxiliary ligands on the photoelectrochemical behaviour of titanium-alkoxide-dyes","Journal of Materials Chemistry A","2017","5","34","18270","","10.1039/C7TA05639G","","","0.71073","MoKα","","0.1764","0.0902","","","0.1451","0.1731","","","","","","1.084","","","","has coordinates","236359","2020-10-21","18:00:00",""
"7236618","13.42","0.007","14.187","0.006","26.269","0.014","80","0.02","81.54","0.02","66.431","0.016","4498","4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H186 Br2 Co8 N12 O50 S8 -","- C160 H184 Br2 Co8 N12 O50 S8 -","- C160 H184 Br2 Co8 N12 O50 S8 -","1","0.5","","Bhuvaneswari, Nagarajan; Annamalai, K. P.; Dai, Feng-Rong; Chen, Zhong-Ning","Pyridinium functionalized coordination containers as highly efficient electrocatalysts for sustainable oxygen evolution","Journal of Materials Chemistry A","2017","5","45","23559","","10.1039/C7TA05797K","","","0.71073","MoKα","","0.1266","0.1021","","","0.2987","0.3256","","","","","","1.063","","","","has coordinates","236362","2020-10-21","18:00:00",""
"7236619","13.404","0.008","13.953","0.007","26.278","0.017","79.49","0.03","81.51","0.03","65.614","0.019","4387","5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C136 H130 Br2 N4 Ni8 O42 S8 -","- C136 H128 Br2 N4 Ni8 O42 S8 -","- C136 H128 Br2 N4 Ni8 O42 S8 -","1","0.5","","Bhuvaneswari, Nagarajan; Annamalai, K. P.; Dai, Feng-Rong; Chen, Zhong-Ning","Pyridinium functionalized coordination containers as highly efficient electrocatalysts for sustainable oxygen evolution","Journal of Materials Chemistry A","2017","5","45","23559","","10.1039/C7TA05797K","","","0.71073","MoKα","","0.1498","0.0989","","","0.2727","0.3053","","","","","","1.005","","","","has coordinates,has disorder","236363","2020-10-21","18:00:00",""
"7236620","22.156","0.008","22.156","0.008","8.111","0.004","90","","90","","90","","3982","3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C10 H15 I3 N Pb -","- C10 H15 I3 N Pb -","- C80 H120 I24 N8 Pb8 -","8","1","","Wang, Guan-E; Yao, Ming-Shui; Cai, Min-Lan; Xiu, Jing-Wei; Li, Yan-Zhou; Xu, Gang; Guo, Guo-Cong","Constructing semiconductive crystalline microporous materials by Coulomb interactions","Journal of Materials Chemistry A","2017","5","35","18409","","10.1039/C7TA05805E","","","0.71073","MoKα","","0.1135","0.0637","","","0.1507","0.1769","","","","","","1.026","","","","has coordinates","236364","2020-10-21","18:00:00",""
"7236621","3.839","0.001","16.867","0.003","26.618","0.005","92.87","0.03","91.46","0.03","93.89","0.03","1716.7","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H16 O4 -","- C38 H16 O4 -","- C114 H48 O12 -","3","1.5","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0683","0.0583","","","0.1618","0.1708","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236622","3.798","0.001","16.829","0.003","26.367","0.005","92.78","0.03","92.17","0.03","93.76","0.03","1678.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H16 O4 -","- C38 H16 O4 -","- C114 H48 O12 -","3","1.5","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0693","0.0662","","","0.178","0.1811","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236623","7.334","0.002","10.849","0.002","24.774","0.005","90","","92.14","0.03","90","","1969.8","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H8 F4 O4 -","- C30 H8 F4 O4 -","- C120 H32 F16 O16 -","4","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.1081","0.0599","","","0.1481","0.1835","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236624","8.91","0.002","9.404","0.002","11.968","0.002","77.86","0.03","74.36","0.03","67.64","0.03","886.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H12 O4 -","- C30 H12 O4 -","- C60 H24 O8 -","2","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0937","0.0662","","","0.1734","0.2007","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236625","9.009","0.002","9.437","0.002","12.056","0.002","77.63","0.03","74.11","0.03","68.35","0.03","908.9","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H12 O4 -","- C30 H12 O4 -","- C60 H24 O8 -","2","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0957","0.0596","","","0.1479","0.1778","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236626","7.239","0.001","10.792","0.002","24.598","0.005","90","","94.27","0.03","90","","1916.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H8 F4 O4 -","- C30 H8 F4 O4 -","- C120 H32 F16 O16 -","4","1","","Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel","Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide","J. Mater. Chem. A","2017","5","39","20780","","10.1039/C7TA05882A","","","0.7","Synchrotron","","0.0949","0.0537","","","0.1373","0.1636","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236627","8.4668","0.0003","7.9589","0.0003","10.4031","0.0004","90","","92.847","0.002","90","","700.16","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Kowalski, Jeffrey A.; Casselman, Matthew D.; Kaur, Aman Preet; Milshtein, Jarrod D.; Elliott, Corrine F.; Modekrutti, Subrahmanyam; Attanayake, N. Harsha; Zhang, Naijao; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","A stable two-electron-donating phenothiazine for application in nonaqueous redox flow batteries","Journal of Materials Chemistry A","2017","5","46","24371","","10.1039/C7TA05883G","","","0.71073","MoKα","","0.0484","0.039","","","0.0883","0.0921","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236628","8.2143","0.0005","9.7414","0.0006","10.4899","0.0006","107.352","0.002","101.099","0.002","111.798","0.002","699","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Jing-Juan; Liu, Zhi-Liang; Wang, Yan-Qin","An ultrastable zinc(ii)‒organic framework as a recyclable multi-responsive luminescent sensor for Cr(iii), Cr(vi) and 4-nitrophenol in the aqueous phase with high selectivity and sensitivity","Journal of Materials Chemistry A","2017","5","37","20035","","10.1039/C7TA05896A","","","0.71073","MoKα","","0.0259","0.0253","","","0.0693","0.0698","","","","","","0.971","","","","has coordinates","236368","2020-10-21","18:00:00",""
"7236629","6.3241","0.0009","18.197","0.003","7.7647","0.0011","90","","95.544","0.004","90","","889.4","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 K N10 O3 -","- C2 H3 K N10 O3 -","- C8 H12 K4 N40 O12 -","4","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.066","0.0547","","","0.1672","0.1818","","","","","","1.182","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236630","3.6735","0.0006","20.633","0.004","7.9016","0.0013","90","","92.69","0.004","90","","598.24","0.18","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H14 N14 O4 -","- C2 H14 N14 O4 -","- C4 H28 N28 O8 -","2","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C–N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.0292","0.0282","","","0.0668","0.0674","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236631","7.7628","0.0008","8.472","0.0009","8.6864","0.0009","96.566","0.002","99.093","0.002","107.015","0.002","531.54","0.1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H10 N12 O5 -","- C2 H10 N12 O5 -","- C4 H20 N24 O10 -","2","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C–N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.041","0.0363","","","0.1031","0.1108","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236632","6.6274","0.0011","9.3787","0.0014","11.2469","0.0018","102.272","0.003","91.229","0.003","105.997","0.003","654.25","0.18","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H11 N15 O6 -","- C3 H11 N15 O6 -","- C6 H22 N30 O12 -","2","1","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C–N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.079","0.0641","","","0.1742","0.1898","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236633","7.767","0.003","11.993","0.004","7.36","0.003","90","","101.904","0.014","90","","670.8","0.4","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 K4 N36 -","- C8 H8 K4 N36 -","- C8 H8 K4 N36 -","1","0.25","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C‒N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.0308","0.0259","","","0.0631","0.0657","","","","","","1.061","","","","has coordinates","236370","2020-10-21","18:00:00",""
"7236634","6.663","0.009","16.418","0.017","16.589","0.017","90","","99.96","0.03","90","","1787","4","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N11 O3 -","- C2 H7 N11 O3 -","- C16 H56 N88 O24 -","8","2","","Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua","Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C–N linked bistetrazolate energetic materials","J. Mater. Chem. A","2017","5","39","20867","","10.1039/C7TA05905A","","","0.71073","MoKα","","0.0809","0.0545","","","0.1613","0.1812","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236635","9.859","0.0011","11.0355","0.0013","12.5671","0.0014","104.782","0.002","89.974","0.002","109.954","0.002","1237","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","Nickel 5-sulphoisophthalate","","","- C16 H19 Na Ni3 O21 S2 -","- C16 H11 Na Ni3 O20.655 S2 -","- C32 H22 Na2 Ni6 O41.31 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.0869","0.0497","","","0.1037","0.1172","","","","","","1.014","","","","has coordinates,has disorder","236373","2020-10-21","18:00:00",""
"7236636","9.8418","0.0016","10.9891","0.0018","12.587","0.002","104.34","0.003","91.715","0.003","110.678","0.003","1223.5","0.3","400","2","400","2","","","","","","","","6","P -1","-P 1","2","CO loaded Nickel 5-sulphoisophthalate","","","- C16.3 H11 Na Ni3 O17.3 S2 -","- C16.31 H11 Na Ni3 O17 S2 -","- C32.62 H22 Na2 Ni6 O34 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.1018","0.0534","","","0.099","0.1134","","","","","","0.994","","","","has coordinates","236373","2020-10-21","18:00:00",""
"7236637","9.8979","0.0017","10.9915","0.0018","12.589","0.002","104.603","0.003","91.331","0.003","110.658","0.003","1230.6","0.4","400","2","400","2","","","","","","","","7","P -1","-P 1","2","NO loaded Nickel 5-sulphoisophthalate","","","- C16 H11 N0.4 Na Ni3 O17.4 S2 -","- C16 H9 N0.4 Na Ni3 O17.374 S2 -","- C32 H18 N0.8 Na2 Ni6 O34.748 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.099","0.0589","","","0.1149","0.1285","","","","","","1.025","","","","has coordinates","236373","2020-10-21","18:00:00",""
"7236638","9.8415","0.0013","11.0066","0.0015","12.6355","0.0017","104.131","0.003","92.127","0.003","110.798","0.003","1229.2","0.3","400","2","400","2","","","","","","","","6","P -1","-P 1","2","Partially Dehydrated Nickel 5-sulphoisophthalate","","","- C16 H11 Na Ni3 O17 S2 -","- C16 H9 Na Ni3 O17 S2 -","- C32 H18 Na2 Ni6 O34 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","synchrotron","","0.0835","0.0454","","","0.0888","0.1003","","","","","","0.976","","","","has coordinates","236373","2020-10-21","18:00:00",""
"7236639","9.972","0.004","11.192","0.005","12.679","0.005","104.544","0.009","90.078","0.009","110.086","0.009","1280.4","0.9","300","2","300","2","","","","","","","","6","P -1","-P 1","2","Cobalt 5-sulphoisophthalate","","","- C16 H19 Co3 Na O21 S2 -","- C16 H13 Co3 Na O21.007 S2 -","- C32 H26 Co6 Na2 O42.014 S4 -","2","1","","Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark","Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)","Journal of Materials Chemistry A","2017","5","45","23577","","10.1039/C7TA05910H","","","0.7749","Synchrotron","","0.0685","0.0437","","","0.1038","0.1143","","","","","","1.04","","","","has coordinates,has disorder","236373","2020-10-21","18:00:00",""
"7236640","18.125","0.008","18.125","0.008","22.375","0.011","90","","90","","90","","7351","6","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C36 H68 Co4 N16 O28 -","- C36 H20 Co4 N16 O28 -","- C144 H80 Co16 N64 O112 -","4","0.125","","Li, Jiantang; Dai, Cong; Cao, Yu; Sun, Xiaodong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Lewis basic site (LBS)-functionalized zeolite-like supramolecular assemblies (ZSAs) with high CO2 uptake performance and highly selective CO2/CH4 separation","J. Mater. Chem. A","2017","5","40","21429","","10.1039/C7TA06003C","","","0.71073","MoKα","","0.0957","0.0755","","","0.2691","0.2999","","","","","","1.132","","","","has coordinates,has disorder","236376","2020-10-21","18:00:00",""
"7236641","19.1419","0.0002","19.1419","0.0002","21.8929","0.0003","90","","90","","90","","8021.83","0.16","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H64 Co4 N20 O24 -","- C32 H44 Co4 N20 O24 -","- C128 H176 Co16 N80 O96 -","4","0.125","","Li, Jiantang; Dai, Cong; Cao, Yu; Sun, Xiaodong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Lewis basic site (LBS)-functionalized zeolite-like supramolecular assemblies (ZSAs) with high CO2 uptake performance and highly selective CO2/CH4 separation","J. Mater. Chem. A","2017","5","40","21429","","10.1039/C7TA06003C","","","0.71073","MoKα","","0.1164","0.073","","","0.2192","0.2628","","","","","","1.049","","","","has coordinates,has disorder","236376","2020-10-21","18:00:00",""
"7236642","19.597","0.004","19.597","0.004","20.713","0.005","90","","90","","90","","7955","3","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C44 H86 Co4 N16 O25 -","- C44 H16 Co4 N16 O25 -","- C176 H64 Co16 N64 O100 -","4","0.125","","Li, Jiantang; Dai, Cong; Cao, Yu; Sun, Xiaodong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Lewis basic site (LBS)-functionalized zeolite-like supramolecular assemblies (ZSAs) with high CO2 uptake performance and highly selective CO2/CH4 separation","J. Mater. Chem. A","2017","5","40","21429","","10.1039/C7TA06003C","","","0.71073","MoKα","","0.0857","0.0667","","","0.2156","0.2439","","","","","","1.059","","","","has coordinates,has disorder","236376","2020-10-21","18:00:00",""
"7236644","13.6593","0.0002","13.6593","0.0002","12.0051","0.0004","90","","90","","90","","2239.87","0.09","45","2","45","2","","","","","","","","6","P 42","P 4c","77","","","","- C24 H42 Cu4 N4 O17 S4 -","- C24 H32 Cu4 N4 O14 S4 -","- C48 H64 Cu8 N8 O28 S8 -","2","0.5","","Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio","Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal","Journal of Materials Chemistry A","2017","5","38","20120","","10.1039/C7TA06199D","","x-ray","0.67165","synchrotron","","0.0696","0.0516","","","0.1215","0.1329","","","","","","0.957","","","","has coordinates","236381","2020-10-21","18:00:00",""
"7236645","13.0954","0.0015","13.0954","0.0015","11.5653","0.0013","90","","90","","90","","1983.3","0.4","90","2","90","2","","","","","","","","8","P 42","P 4c","77","","","","- C24 H38 Cl Cu4 Hg0.5 N4 O15 S4 -","- C24 H32 Cl Cu4 Hg0.5 N4 O15 S4 -","- C48 H64 Cl2 Cu8 Hg N8 O30 S8 -","2","0.5","","Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio","Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal","Journal of Materials Chemistry A","2017","5","38","20120","","10.1039/C7TA06199D","","","0.71073","MoKα","","0.1177","0.1045","","","0.2617","0.2708","","","","","","1.044","","","","has coordinates","236381","2020-10-21","18:00:00",""
"7236646","12.9735","0.0002","12.9735","0.0002","11.5283","0.0003","90","","90","","90","","1940.35","0.07","45","2","45","2","","","","","","","","8","P 42","P 4c","77","","","","- C24 H34 Cl2 Cu4 Hg N4 O14 S4 -","- C24 H26 Cl2 Cu4 Hg N4 O13 S4 -","- C48 H52 Cl4 Cu8 Hg2 N8 O26 S8 -","2","0.5","","Mon, Marta; Qu, Xiaoni; Ferrando-Soria, Jesús; Pellicer-Carreño, Isaac; Sepúlveda-Escribano, Antonio; Ramos-Fernandez, Enrique V.; Jansen, Johannes C.; Armentano, Donatella; Pardo, Emilio","Fine-tuning of the confined space in microporous metal‒organic frameworks for efficient mercury removal","Journal of Materials Chemistry A","2017","5","38","20120","","10.1039/C7TA06199D","","","0.6889","Synchrotron","","0.0831","0.0799","","","0.2319","0.237","","","","","","0.996","","","","has coordinates","236381","2020-10-21","18:00:00",""
"7236647","13.9664","0.0003","13.9664","0.0003","7.706","0.0005","90","","90","","90","","1503.13","0.11","195","2","195","2","","","","","","","","8","P 4/m m m","-P 4 2","123","","[(TPyP-Fe)Zn(SiF6)]n","","- C40 H24 F6 Fe N8 O2 Si Zn -","- C40 H24 F6 Fe N8 O2 Si Zn -","- C40 H24 F6 Fe N8 O2 Si Zn -","1","0.0625","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.0973","0.0883","","","0.2524","0.2595","","","","","","0.993","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7236648","13.985","0.01","13.985","0.01","24.4","0.04","90","","90","","90","","4772","9","195","2","195","2","","","","","","","","7","I 4/m","-I 4","87","","[(TPyP-Zn)2F2Zn2(SiF6)]n","","- C84 H52 Cl12 F8 N16 Si Zn4 -","- C84 H52 Cl12 F8 N16 Si Zn4 -","- C168 H104 Cl24 F16 N32 Si2 Zn8 -","2","0.125","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.2014","0.0875","","","0.2165","0.278","","","","","","0.992","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7236649","33.0984","0.0019","33.0984","0.0019","9.3673","0.0011","90","","90","","120","","8887.1","1.3","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","[TPyP-Cu]n","","- C40 H24 Cu N8 -","- C40 H24 Cu N8 -","- C360 H216 Cu9 N72 -","9","0.5","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.0736","0.0444","","","0.0836","0.0899","","","","","","1.002","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7236650","8.749","0.0012","8.749","0.0012","8.2061","0.0011","90","","90","","120","","543.98","0.13","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 H6 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0249","0.0244","","","0.0688","0.0692","","","","","","1.1","","","","has coordinates","236386","2020-10-21","18:00:00",""
"7236651","6.3026","0.0013","6.3026","0.0013","6.3026","0.0013","90","","90","","90","","250.36","0.09","273","2","273","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 I3 N Pb -","- I3 N Pb -","- I3 N Pb -","1","0.0208333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0387","0.0387","","","0.1208","0.1208","","","","","","1.059","","","","has coordinates","236386","2020-10-21","18:00:00",""
"7236652","8.778","0.002","8.778","0.002","8.212","0.002","90","","90","","120","","548","0.2","273","2","273","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 H6 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang","Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties","Journal of Materials Chemistry A","2017","5","41","21919","","10.1039/C7TA07413A","","","0.71073","MoKα","","0.0451","0.0441","","","0.1142","0.1155","","","","","","1.086","","","","has coordinates","236386","2020-10-21","18:00:00",""
"7236653","16.4994","0.0003","17.8761","0.0003","19.447","0.0004","90.9771","0.0007","100.693","0.0007","102.996","0.0007","5481.48","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","TIPSTEP-Mg-Ph-Pyridine","TIPSTEP-Mg-Ph-Pyridine","","- C63 H65 Mg N5 Si2 -","- C63 H65 Mg N5 Si2 -","- C252 H260 Mg4 N20 Si8 -","4","2","","Ogumi, Keisuke; Nakagawa, Takafumi; Okada, Hiroshi; Sakai, Ryohei; Wang, Huan; Matsuo, Yutaka","Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells","Journal of Materials Chemistry A","2017","5","44","23067","","10.1039/C7TA07576F","","","1.54187","CuKα","","0.1301","0.0754","","","0.2058","0.2472","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236654","8.4747","0.0005","13.7672","0.0008","13.9878","0.0008","82.573","0.003","83.187","0.003","82.072","0.003","1594.37","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Mg-TIPSTEP-C6H4Hex","Mg-TIPSTEP-C6H4Hex","","- C70 H84 Mg N4 Si2 -","- C70 H84 Mg N4 Si2 -","- C70 H84 Mg N4 Si2 -","1","0.5","","Ogumi, Keisuke; Nakagawa, Takafumi; Okada, Hiroshi; Sakai, Ryohei; Wang, Huan; Matsuo, Yutaka","Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells","Journal of Materials Chemistry A","2017","5","44","23067","","10.1039/C7TA07576F","","","1.54187","CuK?a","","0.2042","0.1249","","","0.3398","0.4056","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:32",""
"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",""
"7236656","5.222","0.002","8.635","0.004","11.558","0.005","90","","100.115","0.005","90","","513.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","WHU-3","Cu-(Gly-Thr)?2H2O","","- C6 H14 Cu N2 O6 -","- C6 H14 Cu N2 O6 -","- C12 H28 Cu2 N4 O12 -","2","1","","Ma, Ning; Lin, Cong; Wu, Nian; Liu, Qi; Ma, Jia-Le; Meng, Wei; Wang, Xiao-Shuang; Zhang, Lu; Xu, Xiaohui; Zhao, Yifang; Zhuang, Lin; Fan, Jun; Sun, Junliang; Zhuo, Ren-Xi; Zhang, Xian-Zheng","Stomata-like metal peptide coordination polymer","Journal of Materials Chemistry A","2017","5","45","23440","","10.1039/C7TA08002F","","","0.71073","MoKα","","0.0533","0.0474","","","0.1128","0.1167","","","","","","1.032","","","","has coordinates","236391","2020-10-21","18:00:00",""
"7236657","5.2865","0.0007","8.718","0.0011","17.773","0.004","90","","90","","90","","819.1","0.2","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cu-(Gly-Thr)","","- C6 H10 Cu N2 O4 -","- C6 H10 Cu N2 O4 -","- C24 H40 Cu4 N8 O16 -","4","1","","Ma, Ning; Lin, Cong; Wu, Nian; Liu, Qi; Ma, Jia-Le; Meng, Wei; Wang, Xiao-Shuang; Zhang, Lu; Xu, Xiaohui; Zhao, Yifang; Zhuang, Lin; Fan, Jun; Sun, Junliang; Zhuo, Ren-Xi; Zhang, Xian-Zheng","Stomata-like metal peptide coordination polymer","Journal of Materials Chemistry A","2017","5","45","23440","","10.1039/C7TA08002F","","","0.7107","MoKα","","0.1317","0.1119","","","0.27","0.2811","","","","","","1.067","","","","has coordinates","236391","2020-10-21","18:00:00",""
"7236658","28.99097","0.00007","28.99097","0.00007","16.7159","0.00011","90","","90","","90","","14049.3","0.1","100","0.3","100","0.3","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H12 Cu In N4 O8 -","- C24 H12 Cu In N4 O8 -","- C384 H192 Cu16 In16 N64 O128 -","16","0.5","","Tan, Yan-Xi; Si, Yanan; Wang, Wenjing; Yuan, Daqiang","Tetrahedral crosslinking of dia-type nets into a zeolitic GIS-type framework for optimizing stability and gas sorption","Journal of Materials Chemistry A","2017","5","44","23276","","10.1039/C7TA08288F","","","1.54184","CuKα","","0.0463","0.0452","","","0.1093","0.1099","","","","","","1.18","","","","has coordinates","236393","2020-10-21","18:00:00",""
"7236683","6.7463","0.0004","21.3406","0.0011","7.0237","0.0005","90","","103.448","0.006","90","","983.48","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 S -","- C11 H9 N O3 S -","- C44 H36 N4 O12 S4 -","4","1","","Debnath, Mintu; Sasmal, Supriya; Haldar, Debasish","Fabrication of egg shell-like nanovesicles from a thiocoumarin-based ε-amino ester: a potential carrier","Journal of Materials Chemistry B","2017","5","27","5450","","10.1039/C7TB00025A","","x-ray","0.71073","MoKα","","0.0577","0.0495","","","0.1258","0.132","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236684","14.468","0.004","13.931","0.004","22.74","0.007","90","","90","","90","","4583","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cd I2 N8 -","- C18 H20 Cd I2 N8 -","- C144 H160 Cd8 I16 N64 -","8","1","","Cheng, Yue; Wu, Jie; Guo, Chao; Li, Xin-Ge; Ding, Bin; Li, Yan","A facile water-stable MOF-based “off‒on” fluorescent switch for label-free detection of dopamine in biological fluid","Journal of Materials Chemistry B","2017","5","13","2524","","10.1039/C7TB00099E","","","0.71073","MoKα","","0.0229","0.0177","","","0.0368","0.0392","","","","","","1.07","","","","has coordinates","236423","2020-10-21","18:00:00",""
"7236685","34.0369","0.0015","9.7317","0.0004","22.916","0.0008","90","","90.574","0.003","90","","7590.2","0.5","99.95","0.18","99.95","0.18","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C88 H98 N4 O3 -","- C88 H74 N4 O3 -","- C352 H296 N16 O12 -","4","0.5","","Zhao, Zheng; Su, Huifang; Zhang, Pengfei; Cai, Yuanjing; Kwok, Ryan T. K.; Chen, Yuncong; He, Zikai; Gu, Xinggui; He, Xuewen; Sung, Herman H. Y.; Willimas, Ian D.; Lam, Jacky W. Y.; Zhang, Zhenfeng; Tang, Ben Zhong","Polyyne bridged AIE luminogens with red emission: design, synthesis, properties and applications","Journal of Materials Chemistry B","2017","5","8","1650","","10.1039/C7TB00112F","","x-ray","0.71073","MoKα","","0.1168","0.0742","","","0.1722","0.1941","","","","","","1.001","","","","has coordinates,has disorder","236424","2020-10-21","18:00:00",""
"7236686","22.854","0.003","9.0152","0.0013","13.197","0.002","90","","96.266","0.003","90","","2702.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N4 O3 -","- C33 H24 N4 O3 -","- C132 H96 N16 O12 -","4","1","","Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun","Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes","Journal of Materials Chemistry B","2017","5","26","5096","","10.1039/C7TB00623C","","","0.71073","MoKα","","0.107","0.0476","","","0.1157","0.1533","","","","","","1.038","","","","has coordinates","236426","2020-10-21","18:00:00",""
"7236687","9.805","0.005","39.34","0.02","9.106","0.005","90","","115.444","0.008","90","","3172","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H34 N2 O2 S -","- C39 H34 N2 O2 S -","- C156 H136 N8 O8 S4 -","4","1","","Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun","Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes","Journal of Materials Chemistry B","2017","5","26","5096","","10.1039/C7TB00623C","","","0.71073","MoKα","","0.1189","0.0608","","","0.1325","0.1594","","","","","","0.998","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236688","7.2991","0.0012","18.472","0.003","12.541","0.002","90","","90","","90","","1690.9","0.5","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C72 H76 I4 N8 -","4","0.5","","Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells","Journal of Materials Chemistry B","2017","5","21","3862","","10.1039/C7TB00726D","","","0.71073","MoKα","","0.021","0.0188","","","0.0418","0.043","","","","","","1.061","","","","has coordinates","236428","2020-10-21","18:00:00",""
"7236689","12.632","0.005","6.968","0.005","24.753","0.005","90","0.005","96.016","0.005","90","0.005","2166.8","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 I2 N2 O -","- C22 H23 I2 N2 O -","- C88 H92 I8 N8 O4 -","4","1","","Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells","Journal of Materials Chemistry B","2017","5","21","3862","","10.1039/C7TB00726D","","","0.71069","MoKα","","0.0304","0.0289","","","0.0846","0.087","","","","","","1.047","","","","has coordinates","236428","2020-10-21","18:00:00",""
"7236690","9.6327","0.0004","9.823","0.0004","23.0384","0.0009","83.222","0.001","79.915","0.001","79.361","0.001","2101.08","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H29 F10 Ir N5 P -","- C48 H29 F10 Ir N5 P -","- C96 H58 F20 Ir2 N10 P2 -","2","1","","Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states","Journal of Materials Chemistry B","2017","5","27","5488","","10.1039/C7TB00731K","","","0.71073","MoKα","","0.0382","0.0301","","","0.0515","0.0533","","","","","","1.06","","","","has coordinates","236430","2020-10-21","18:00:00",""
"7236691","9.6803","0.0005","10.024","0.0005","22.948","0.0013","90.034","0.002","100.758","0.002","101.52","0.002","2141.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H33 F6 Ir N5 P -","- C48 H33 F6 Ir N5 P -","- C96 H66 F12 Ir2 N10 P2 -","2","1","","Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states","Journal of Materials Chemistry B","2017","5","27","5488","","10.1039/C7TB00731K","","","0.71073","MoKα","","0.0292","0.0238","","","0.048","0.0493","","","","","","1.053","","","","has coordinates","236430","2020-10-21","18:00:00",""
"7236692","14.289","0.005","14.212","0.005","17.032","0.005","90","0.005","109.537","0.005","90","0.005","3259.6","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Cl2 N4 O2 Zn -","- C37 H32 Cl2 N4 O2 Zn -","- C148 H128 Cl8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0388","0.0303","","","0.0741","0.0786","","","","","","1.052","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236693","14.164","0.005","14.345","0.005","17.368","0.005","90","0.005","108.597","0.005","90","0.005","3344.6","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br2 N4 O2 Zn -","- C37 H32 Br2 N4 O2 Zn -","- C148 H128 Br8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0748","0.0387","","","0.0696","0.0809","","","","","","1.015","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236694","14.12","0.005","14.552","0.005","17.692","0.005","90","0.005","107.286","0.005","90","0.005","3471","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 I2 N4 O2 Zn -","- C37 H32 I2 N4 O2 Zn -","- C148 H128 I8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0476","0.0366","","","0.1287","0.1402","","","","","","1.068","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236695","9.9937","0.0002","9.9937","0.0002","64.144","0.004","90","","90","","90","","6406.3","0.4","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H86 N8 O14 -","- C56 H86 N8 O14 -","- C224 H344 N32 O56 -","4","0.5","","Podder, Debasish; Bera, Santu; Debnath, Mintu; Das, Tanmay; Haldar, Debasish","Formation of toroids by self-assembly of an α–α corner mimetic: supramolecular cyclization","Journal of Materials Chemistry B","2017","5","36","7583","","10.1039/C7TB01711A","","x-ray","0.71073","MoKα","","0.0873","0.066","","","0.1601","0.1727","","","","","","1.091","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236696","13.4121","0.0018","9.7801","0.0012","20.066","0.003","90","","108.949","0.014","90","","2489.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TPE-HBT","","- C33 H23 N O S -","- C33 H23 N O S -","- C132 H92 N4 O4 S4 -","4","1","","Chen, Qing; Jia, Chunman; Zhang, Yinfeng; Du, Wei; Wang, Yile; Huang, Yan; Yang, Qiuyun; Zhang, Qi","A novel fluorophore based on the coupling of AIE and ESIPT mechanisms and its application in biothiol imaging","Journal of Materials Chemistry B","2017","5","37","7736","","10.1039/C7TB02076G","","","0.7107","MoKα","","0.1174","0.0599","","","0.1284","0.1655","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236697","13.1267","0.0004","3.8689","0.0001","12.781","0.0004","90","","93.945","0.001","90","","647.56","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C34 H24 O8 -","2","1","","Ji, Wei; Li, Lingling; Eniola-Adefeso, Omolola; Wang, Yaming; Liu, Chuntai; Feng, Chuanliang","Non-invasively visualizing cell–matrix interactions in two-photon excited supramolecular hydrogels","J. Mater. Chem. B","2017","5","38","7790","","10.1039/C7TB02274C","","","1.54178","CuKα","","0.0372","0.0371","","","0.1055","0.1057","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236698","6.649","0.0005","28.779","0.002","7.22","0.0006","90","","115.909","0.003","90","","1242.7","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","","Ji, Wei; Li, Lingling; Eniola-Adefeso, Omolola; Wang, Yaming; Liu, Chuntai; Feng, Chuanliang","Non-invasively visualizing cell–matrix interactions in two-photon excited supramolecular hydrogels","J. Mater. Chem. B","2017","5","38","7790","","10.1039/C7TB02274C","","","1.54178","CuKα","","0.0423","0.0355","","","0.1046","0.111","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236700","3.7327","0.0004","11.2986","0.001","12.356","0.0013","75.176","0.006","87.062","0.007","81.316","0.006","497.94","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H10 N4 -","- C26 H10 N4 -","- C26 H10 N4 -","1","0.5","","Glöcklhofer, Florian; Petritz, Andreas; Karner, Esther; Bojdys, Michael J.; Stadlober, Barbara; Fröhlich, Johannes; Unterlass, Miriam M.","Dicyano- and tetracyanopentacene: foundation of an intriguing new class of easy-to-synthesize organic semiconductors.","Journal of materials chemistry. C","2017","5","10","2603","2610","10.1039/c7tc00143f","","x-ray","0.71073","MoKα","","0.0865","0.045","","","0.0508","0.0545","","","","2.24","2.24","1.72","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236701","7.5291","0.0015","9.914","0.002","17.893","0.004","81.02","0.03","83.55","0.03","75.21","0.03","1271.8","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O6 -","- C32 H28 O6 -","- C64 H56 O12 -","2","1","","Li, Mengwei; Wang, Yi-Xuan; Wang, Jianhui; Chen, Yulan","(Z)-Tetraphenylbut-2-ene-1,4-diones: facile synthesis, tunable aggregation-induced emission and fluorescence acid sensing","Journal of Materials Chemistry C","2017","5","13","3408","","10.1039/C7TC00173H","","","0.71073","MoKα","","0.0659","0.0378","","","0.0788","0.0855","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:32",""
"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",""
"7236703","13.8079","0.001","12.4815","0.0009","27.3661","0.0019","90","","104.52","0.001","90","","4565.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 B20 Ir N3 -","- C39 H48 B20 Ir N3 -","- C156 H192 B80 Ir4 N12 -","4","1","","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","","0.0294","0.0258","","","0.0673","0.0698","","","","","","1.031","","","","has coordinates","236450","2020-10-21","18:00:00",""
"7236704","16.4471","0.0003","13.8499","0.0002","26.5812","0.0004","90","","92.965","0.001","90","","6046.84","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H130 B60 Cl2 Ir2 N6 O2 -","- C87 H130 B60 Cl2 Ir2 N6 O2 -","- C174 H260 B120 Cl4 Ir4 N12 O4 -","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","","0.0364","0.0264","","","0.0661","0.07","","","","","","1.059","","","","has coordinates,has disorder","236450","2020-10-21","18:00:00",""
"7236705","6.251","0.003","20.123","0.008","21.102","0.009","90","","93.575","0.013","90","","2649","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H62 N2 O4 S4 -","- C62 H48 N2 O4 S4 -","- C124 H96 N4 O8 S8 -","2","0.5","","Li, Xiangchun; Wang, Hengbin; Schneider, Julia A.; Wei, Zitang; Lai, Wen-Yong; Huang, Wei; Wudl, Fred; Zheng, Yonghao","Catalyst-free one-step synthesis of ortho-tetraaryl perylene diimides for efficient OPV non-fullerene acceptors","Journal of Materials Chemistry C","2017","5","11","2781","","10.1039/C7TC00263G","","","0.71073","MoKα","","0.2448","0.0935","","","0.2069","0.281","","","","","","0.99","","","","has coordinates,has disorder","236452","2020-10-21","18:00:00",""
"7236706","12.158","0.006","14.546","0.007","20.965","0.01","91.262","0.013","104.023","0.012","104.588","0.01","3468","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H96 Cl2 N2 O4 -","- C83 H96 Cl2 N2 O4 -","- C166 H192 Cl4 N4 O8 -","2","1","","Li, Xiangchun; Wang, Hengbin; Schneider, Julia A.; Wei, Zitang; Lai, Wen-Yong; Huang, Wei; Wudl, Fred; Zheng, Yonghao","Catalyst-free one-step synthesis of ortho-tetraaryl perylene diimides for efficient OPV non-fullerene acceptors","Journal of Materials Chemistry C","2017","5","11","2781","","10.1039/C7TC00263G","","","0.71073","MoKα","","0.3513","0.143","","","0.3379","0.4471","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236707","9.7023","0.0013","19.694","0.003","13.7791","0.0018","90","","101.907","0.01","90","","2576.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O3 -","- C30 H28 N4 O3 -","- C120 H112 N16 O12 -","4","1","","Poronik, Yevgen M.; Mazur, Leszek M.; Samoć, Marek; Jacquemin, Denis; Gryko, Daniel T.","2,5-Bis(azulenyl)pyrrolo[3,2-b]pyrroles – the key influence of the linkage position on the linear and nonlinear optical properties","Journal of Materials Chemistry C","2017","5","10","2620","","10.1039/C7TC00276A","","","1.54178","CuKα","","0.2134","0.0975","","","0.1746","0.2158","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236708","10.6818","0.0003","15.6189","0.0004","16.5803","0.0005","75.165","0.003","76.833","0.003","72.093","0.003","2510.85","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H144 Br18 Cd3 N12 -","- C60 H144 Br18 Cd3 N12 -","- C60 H144 Br18 Cd3 N12 -","1","0.5","","Wang, Sasa; Li, Lina; Sun, Zhihua; Ji, Chengmin; Liu, Sijie; Wu, Zhenyue; Zhao, Sangen; Zeb, Aurang; Hong, Maochun; Luo, Junhua","A semi-conductive organic‒inorganic hybrid emits pure white light with an ultrahigh color rendering index","Journal of Materials Chemistry C","2017","5","19","4731","","10.1039/C7TC00279C","","","0.71073","MoKα","","0.0751","0.0452","","","0.1275","0.1492","","","","","","0.94","","","","has coordinates","236456","2020-10-21","18:00:00",""
"7236709","8.23564","0.00015","4.76654","0.00009","14.1245","0.0003","90","","96.7481","0.0007","90","","550.623","0.019","171","","171","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TIIG","Thienoisoindigo","","- C12 H6 N2 O2 S2 -","- C12 H6 N2 O2 S2 -","- C24 H12 N4 O4 S4 -","2","0.5","","Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko","N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors","Journal of Materials Chemistry C","2017","5","10","2509","","10.1039/C7TC00327G","","","1.54187","CuKα","","","0.0347","","","","0.0906","","","","","","1.118","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236710","7.88168","0.0001","7.13603","0.0001","35.6666","0.0009","90","","90","","90","","2006.03","0.06","274","","274","","","","","","","","","5","P b c a","-P 2ac 2ab","61","dph-TIIG","Diphenylthienoisoindigo","","- C24 H14 N2 O2 S2 -","- C24 H14 N2 O2 S2 -","- C96 H56 N8 O8 S8 -","4","0.5","","Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko","N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors","Journal of Materials Chemistry C","2017","5","10","2509","","10.1039/C7TC00327G","","","1.54187","CuKα","","","0.0651","","","","0.1838","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236711","4.99713","0.00013","10.7672","0.0003","14.6977","0.0004","102.009","0.0017","92.7147","0.0016","101.117","0.0016","755.83","0.04","171","","171","","","","","","","","","5","P -1","-P 1","2","N-hexyl dph-TIIG","N,N-Dihexyl diphenylthienoisoindigo","","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","1","0.5","","Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko","N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors","Journal of Materials Chemistry C","2017","5","10","2509","","10.1039/C7TC00327G","","","1.54187","CuKα","","","0.0714","","","","0.2364","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236712","12.6583","0.0006","20.5922","0.001","21.1398","0.001","90","","95.517","0.001","90","","5484.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H38 F8 Ir N5 O2 P2 -","- C64 H38 F8 Ir N5 O2 P2 -","- C256 H152 F32 Ir4 N20 O8 P8 -","4","1","","Jing, Yi-Ming; Wang, Fang-Zhou; Zheng, You-Xuan; Zuo, Jing-Lin","Efficient deep red electroluminescence of iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and tetraphenylimidodiphosphinate","Journal of Materials Chemistry C","2017","5","15","3714","","10.1039/C7TC00348J","","","0.71073","MoKα","","0.0509","0.0307","","","0.0621","0.0775","","","","","","1.011","","","","has coordinates","236460","2020-10-21","18:00:00",""
"7236713","10.927","0.002","15.47","0.003","16.813","0.003","80.513","0.004","72.599","0.004","82.996","0.004","2666.9","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H42 F4 Ir N5 O2 P2 -","- C64 H42 F4 Ir N5 O2 P2 -","- C128 H84 F8 Ir2 N10 O4 P4 -","2","1","","Jing, Yi-Ming; Wang, Fang-Zhou; Zheng, You-Xuan; Zuo, Jing-Lin","Efficient deep red electroluminescence of iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and tetraphenylimidodiphosphinate","Journal of Materials Chemistry C","2017","5","15","3714","","10.1039/C7TC00348J","","","0.71073","MoKα","","0.1285","0.0686","","","0.1718","0.2101","","","","","","1.032","","","","has coordinates,has disorder","236460","2020-10-21","18:00:00",""
"7236714","15.0722","0.0014","15.1646","0.0014","23.699","0.002","90","","92.214","0.002","90","","5412.7","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 F4 Ir N5 O2 P2 -","- C64 H42 F4 Ir N5 O2 P2 -","- C256 H168 F16 Ir4 N20 O8 P8 -","4","1","","Jing, Yi-Ming; Wang, Fang-Zhou; Zheng, You-Xuan; Zuo, Jing-Lin","Efficient deep red electroluminescence of iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and tetraphenylimidodiphosphinate","Journal of Materials Chemistry C","2017","5","15","3714","","10.1039/C7TC00348J","","","0.71073","MoKα","","0.0421","0.0319","","","0.0805","0.086","","","","","","1.046","","","","has coordinates","236460","2020-10-21","18:00:00",""
"7236715","5.0293","0.0011","9.305","0.002","14.42","0.003","78.51","0.005","87.882","0.005","83.349","0.004","656.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0679","0.0544","","","0.135","0.1447","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236716","8.252","0.006","8.626","0.006","15.276","0.01","96.785","0.014","98.511","0.013","117.108","0.013","935.8","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N3 O2 S -","- C19 H27 N3 O2 S -","- C38 H54 N6 O4 S2 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0678","0.0443","","","0.1278","0.1399","","","","","","1.052","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236717","7.1417","0.0009","7.854","0.001","8.9569","0.0011","72.724","0.002","74.137","0.002","68.176","0.002","437.76","0.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C20 H16 N4 O2 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0362","0.032","","","0.085","0.0888","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236718","7.6023","0.0008","9.0012","0.001","9.9056","0.0011","79.04","0.002","84.018","0.002","80.824","0.002","655.05","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H17 N3 -","- C14 H17 N3 -","- C28 H34 N6 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0369","0.0345","","","0.1041","0.107","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236719","9.3267","0.0014","14.003","0.002","14.7925","0.0018","90","","120.492","0.007","90","","1664.7","0.4","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H25 N3 -","- C18 H25 N3 -","- C72 H100 N12 -","4","2","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0409","0.0371","","","0.1018","0.1046","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236720","10.9669","0.0013","14.1993","0.0016","12.5425","0.0015","90","","115.925","0.002","90","","1756.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N3 O3 S -","- C17 H25 N3 O3 S -","- C68 H100 N12 O12 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0619","0.0516","","","0.144","0.1532","","","","","","1.023","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236721","7.932","0.004","8.098","0.005","12.503","0.007","100.451","0.011","99.409","0.011","99.622","0.012","763","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C32 H44 N4 O4 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.1044","0.0645","","","0.1804","0.2331","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236722","10.9827","0.0013","14.2402","0.0017","12.5749","0.0011","90","","115.917","0.008","90","","1768.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N3 O3 S -","- C17 H25 N3 O3 S -","- C68 H100 N12 O12 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0508","0.0444","","","0.1379","0.1436","","","","","","1.072","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236723","16.414","0.004","5.0946","0.0012","17.538","0.004","90","","92.146","0.004","90","","1465.5","0.6","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C60 H72 N8 O12 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0551","0.0393","","","0.0961","0.1076","","","","","","0.98","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236724","8.914","0.002","13.304","0.003","12.052","0.003","90","","101.441","0.004","90","","1400.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0725","0.0465","","","0.1067","0.1174","","","","","","1.031","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236725","6.9599","0.0007","7.5636","0.0008","10.3122","0.001","98.43","0.002","92.196","0.002","103.452","0.002","520.77","0.09","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C24 H26 N6 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0404","0.0374","","","0.1256","0.1281","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236726","17.031","0.003","11.1503","0.0019","8.1223","0.0013","90","","96.862","0.003","90","","1531.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.059","0.0488","","","0.1384","0.1461","","","","","","1.093","","","","has coordinates","236462","2020-10-21","18:00:00",""
"7236727","9.2082","0.0016","12.659","0.002","19.962","0.003","90","","103.023","0.003","90","","2267.1","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 N3 O2 S -","- C23 H35 N3 O2 S -","- C92 H140 N12 O8 S4 -","4","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0579","0.039","","","0.0961","0.1075","","","","","","1.008","","","","has coordinates,has disorder","236462","2020-10-21","18:00:00",""
"7236728","7.084","0.003","7.646","0.003","10.376","0.005","98.929","0.009","91.731","0.009","103.705","0.009","538.1","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C24 H26 N6 -","2","1","","Lei, Yunxiang; Zhou, Yibin; Qian, Lebin; Wang, Yuxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Wu, Huayue; Ding, Jinchang; Cheng, Yixiang","Polymorphism and mechanochromism of N-alkylated 1,4-dihydropyridine derivatives containing different electron-withdrawing end groups","Journal of Materials Chemistry C","2017","5","21","5183","","10.1039/C7TC00362E","","","0.71073","MoKα","","0.0599","0.0481","","","0.1216","0.1319","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236729","17.727","0.013","3.932","0.003","20.797","0.015","90","","111.119","0.016","90","","1352.2","1.7","113","","113","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 -","- C42 H26 -","- C84 H52 -","2","0.5","","Liu, Jie; Liu, Jinyu; Zhang, Zichao; Xu, Chunhui; Li, Qingyuan; Zhou, Ke; Dong, Huanli; Zhang, Xiaotao; Hu, Wenping","Enhancing field-effect mobility and maintaining solid-state emission by incorporating 2,6-diphenyl substitution to 9,10-bis(phenylethynyl)anthracene","Journal of Materials Chemistry C","2017","5","10","2519","","10.1039/C7TC00372B","","","0.71073","MoKα","","0.1023","0.0612","","","0.1384","0.163","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236730","12.743","0.003","23.905","0.006","15.527","0.004","90","","91.345","0.005","90","","4729","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H86 Ag2 Cl6 N2 O8 P6 Pt -","- C98 H86 Ag2 Cl6 N2 O8 P6 Pt -","- C196 H172 Ag4 Cl12 N4 O16 P12 Pt2 -","2","0.5","","Li, Yi-Peng; Fan, Xin-Xia; Wu, Yue; Zeng, Xian-Chong; Wang, Jin-Yun; Wei, Qiao-Hua; Chen, Zhong-Ning","High-efficiency organic light-emitting diodes of phosphorescent PtAg2heterotrinuclear acetylide complexes supported by triphosphine","Journal of Materials Chemistry C","2017","5","12","3072","","10.1039/C7TC00382J","","","0.71073","MoKα","","0.0823","0.0725","","","0.1567","0.1622","","","","","","1.168","","","","has coordinates","236466","2020-10-21","18:00:00",""
"7236731","27.124","0.002","15.352","0.0005","25.3119","0.0017","90","","112.696","0.003","90","","9723.9","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C94 H77 B2 Cl4 Cu2 F8 N5 O2 P4 -","- C94 H77 B2 Cl4 Cu2 F8 N5 O2 P4 -","- C376 H308 B8 Cl16 Cu8 F32 N20 O8 P16 -","4","1","","Lin, Ling; Chen, Dong-Hui; Yu, Rongmin; Chen, Xu-Lin; Zhu, Wen-Juan; Liang, Dong; Chang, Jian-Fei; Zhang, Qing; Lu, Can-Zhong","Photo- and electro-luminescence of three TADF binuclear Cu(i) complexes with functional tetraimine ligands","Journal of Materials Chemistry C","2017","5","18","4495","","10.1039/C7TC00443E","","","0.71073","MoKα","","0.0745","0.0616","","","0.184","0.1974","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236732","30.221","0.009","16.055","0.005","21.286","0.006","90","","97.329","0.006","90","","10244","5","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C98 H82 B2 Cl10 Cu2 F11 N5 O2 P4 -","- C98 H82 B2 Cl10 Cu2 F11 N5 O2 P4 -","- C392 H328 B8 Cl40 Cu8 F44 N20 O8 P16 -","4","1","","Lin, Ling; Chen, Dong-Hui; Yu, Rongmin; Chen, Xu-Lin; Zhu, Wen-Juan; Liang, Dong; Chang, Jian-Fei; Zhang, Qing; Lu, Can-Zhong","Photo- and electro-luminescence of three TADF binuclear Cu(i) complexes with functional tetraimine ligands","Journal of Materials Chemistry C","2017","5","18","4495","","10.1039/C7TC00443E","","","0.71073","MoKα","","0.1525","0.1135","","","0.2927","0.3253","","","","","","1.134","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236733","15.16","0.003","17.601","0.003","23.446","0.005","74.285","0.007","87.1","0.008","65.415","0.007","5462.5","1.9","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C109 H90 B2 Cl10 Cu2 F8 N6 O2 P4 -","- C109 H90 B2 Cl10 Cu2 F8 N6 O2 P4 -","- C218 H180 B4 Cl20 Cu4 F16 N12 O4 P8 -","2","1","","Lin, Ling; Chen, Dong-Hui; Yu, Rongmin; Chen, Xu-Lin; Zhu, Wen-Juan; Liang, Dong; Chang, Jian-Fei; Zhang, Qing; Lu, Can-Zhong","Photo- and electro-luminescence of three TADF binuclear Cu(i) complexes with functional tetraimine ligands","Journal of Materials Chemistry C","2017","5","18","4495","","10.1039/C7TC00443E","","","0.71073","MoKα","","0.0884","0.0723","","","0.2146","0.2357","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236734","19.6675","0.0003","11.9457","0.0002","21.9773","0.0004","90","","97.166","0.002","90","","5123.06","0.15","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H9 Eu N O9 -","- C21 H9 Eu N O9 -","- C168 H72 Eu8 N8 O72 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wan, Xiuyan; Yu, Muxin; Cao, Zhen; Jing, Tan; Hong, Maochun","Fabricating a super stable luminescent chemosensor with multi-stimuli-response to metal ions and small organic molecules through turn-on and turn-off effects","Journal of Materials Chemistry C","2017","5","18","4511","","10.1039/C7TC00508C","","","1.54184","CuKα","","0.0345","0.0316","","","0.1011","0.1023","","","","","","1.119","","","","has coordinates","236471","2020-10-21","18:00:00",""
"7236735","19.6084","0.0004","11.9016","0.0003","21.9364","0.0005","90","","97.186","0.002","90","","5079.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H11 N O9 Tb -","- C21 H11 N O9 Tb -","- C168 H88 N8 O72 Tb8 -","8","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wan, Xiuyan; Yu, Muxin; Cao, Zhen; Jing, Tan; Hong, Maochun","Fabricating a super stable luminescent chemosensor with multi-stimuli-response to metal ions and small organic molecules through turn-on and turn-off effects","Journal of Materials Chemistry C","2017","5","18","4511","","10.1039/C7TC00508C","","","1.54184","CuKα","","0.0328","0.0291","","","0.0733","0.0748","","","","","","0.98","","","","has coordinates","236471","2020-10-21","18:00:00",""
"7236736","7.7123","0.0001","14.4156","0.0002","20.6891","0.0003","90","","90","","90","","2300.16","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","AF1","8-(2-chlorophenyl)-2-(2,6-dimethoxyphenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridine","","- C25 H21 Cl N2 O2 S2 -","- C25 H21 Cl N2 O2 S2 -","- C100 H84 Cl4 N8 O8 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0339","0.0324","","","0.0795","0.0811","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236737","7.5032","0.0004","12.2427","0.0009","14.1014","0.0011","88.124","0.006","76.84","0.005","82.587","0.005","1250.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF1","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-nitrophenol","","- C25 H22 Cl N3 O4 S2 -","- C25 H22 Cl N3 O4 S2 -","- C50 H44 Cl2 N6 O8 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0785","0.0589","","","0.1512","0.1681","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236738","7.7588","0.0003","10.654","0.0005","14.3833","0.0008","111.453","0.005","96.496","0.004","93.193","0.004","1093.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF2","5-chloro-2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H16 Cl2 N2 O S2 -","- C23 H16 Cl2 N2 O S2 -","- C46 H32 Cl4 N4 O2 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0482","0.0456","","","0.1269","0.1303","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236739","8.0688","0.0002","11.8414","0.0002","12.8095","0.0002","115.263","0.002","105.748","0.002","95.196","0.002","1034.91","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF3","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-5-methylphenol","","- C24 H19 Cl N2 O S2 -","- C24 H19 Cl N2 O S2 -","- C48 H38 Cl2 N4 O2 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.03","0.0295","","","0.0797","0.0802","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236740","9.2915","0.0001","19.1222","0.0003","24.9136","0.0004","90","","90","","90","","4426.5","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF6","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-methylphenol","","- C24 H19 Cl N2 O S2 -","- C24 H19 Cl N2 O S2 -","- C192 H152 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0393","0.0366","","","0.1009","0.1037","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236741","7.3226","0.0001","11.1977","0.0001","31.2881","0.0005","90","","96.368","0.002","90","","2549.68","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BF7","4-(tert-butyl)-2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C27 H25 Cl N2 O S2 -","- C27 H25 Cl N2 O S2 -","- C108 H100 Cl4 N8 O4 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.05","0.0455","","","0.123","0.1265","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236742","25.724","0.005","10.867","0.002","10.591","0.002","90","","100.7","0.03","90","","2909.2","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BF9","2,4-di-tert-butyl-6-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C31 H33 Cl N2 O S2 -","- C31 H33 Cl N2 O S2 -","- C124 H132 Cl4 N8 O4 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","0.71073","MoKα","","0.1022","0.0861","","","0.2341","0.2521","","","","","","1.026","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236743","12.8419","0.0004","9.1338","0.0004","19.5081","0.0008","90","","104.55","0.004","90","","2214.82","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BF10","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-5-nitrophenol","","- C23 H16 Cl N3 O3 S2 -","- C23 H16 Cl N3 O3 S2 -","- C92 H64 Cl4 N12 O12 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.076","0.0686","","","0.199","0.2082","","","","","","1.047","","","","has coordinates,has disorder","236474","2020-10-21","18:00:00",""
"7236744","20.1226","0.0005","9.5608","0.0004","22.8331","0.0008","90","","90","","90","","4392.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF14","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-6-methoxyphenol","","- C24 H19 Cl N2 O2 S2 -","- C24 H19 Cl N2 O2 S2 -","- C192 H152 Cl8 N16 O16 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0617","0.0566","","","0.164","0.1705","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236745","7.6464","0.0003","9.8781","0.0006","14.4376","0.0011","91.312","0.006","96.272","0.005","94.02","0.004","1080.79","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BF16","2-(8-(3-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-methoxyphenol","","- C24 H19 Cl N2 O2 S2 -","- C24 H19 Cl N2 O2 S2 -","- C48 H38 Cl2 N4 O4 S4 -","2","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.1075","0.1041","","","0.3465","0.3475","","","","","","1.199","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236746","18.2963","0.0013","4.869","0.0003","25.311","0.002","90","","98.904","0.007","90","","2227.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BF15","2-(8-(4-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-methoxyphenol","","- C24 H19 Cl N2 O2 S2 -","- C24 H19 Cl N2 O2 S2 -","- C96 H76 Cl4 N8 O8 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0884","0.0572","","","0.1454","0.173","","","","","","1.029","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236747","9.2883","0.0002","19.0608","0.0003","24.5265","0.0005","90","","90","","90","","4342.23","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF18","4-amino-2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H18 Cl N3 O S2 -","- C23 H18 Cl N3 O S2 -","- C184 H144 Cl8 N24 O8 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0606","0.0547","","","0.1614","0.1691","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236748","15.122","0.003","24.292","0.004","19.265","0.005","90","","92.237","0.002","90","","7071","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tetrakis[2-phenyl-4-(2,4,6-trimethylphenyl)pyridine-C2,N?]-bis(?-oxamidato-N,N?,O,O?)diiridium(III)","","- C88 H88 Ir2 N6 O2 -","- C82 H74 Ir2 N6 O2 -","- C328 H296 Ir8 N24 O8 -","4","0.5","","M’hamedi, Ahmed; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Monkman, Andrew P.; Bryce, Martin R.","Bright green PhOLEDs using cyclometalated diiridium(iii) complexes with bridging oxamidato ligands as phosphorescent dopants","Journal of Materials Chemistry C","2017","5","27","6777","","10.1039/C7TC00628D","","","0.6889","synchrotron","","0.0495","0.034","","","0.0776","0.083","","","","","","1.06","","","","has coordinates,has disorder","236477","2020-10-21","18:00:00",""
"7236749","12.0305","0.0006","12.8786","0.0006","16.9004","0.0008","73.0878","0.0016","70.7745","0.0017","78.2922","0.0017","2348.8","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C113 H115 Cl Ir2 N6 O2 -","- C113 H115 Cl Ir2 N6 O2 -","- C113 H115 Cl Ir2 N6 O2 -","1","0.5","","M’hamedi, Ahmed; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Monkman, Andrew P.; Bryce, Martin R.","Bright green PhOLEDs using cyclometalated diiridium(iii) complexes with bridging oxamidato ligands as phosphorescent dopants","Journal of Materials Chemistry C","2017","5","27","6777","","10.1039/C7TC00628D","","x-ray","0.71073","MoKα","","0.0588","0.0375","","","0.0794","0.0859","","","","","","1.035","","","","has coordinates,has disorder","236477","2020-10-21","18:00:00",""
"7236750","7.7708","0.0015","8.3156","0.0017","12.492","0.003","98.152","0.004","104.868","0.004","92.54","0.004","769.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Au F3 N -","- C15 H15 Au F3 N -","- C30 H30 Au2 F6 N2 -","2","1","","Yamada, Shigeyuki; Yamaguchi, Shun; Tsutsumi, Osamu","Electron-density distribution tuning for enhanced thermal stability of luminescent gold complexes","Journal of Materials Chemistry C","2017","5","31","7977","","10.1039/C7TC00728K","","","0.71073","","","0.0882","0.0831","","","0.2699","0.2798","","","","","","2.369","","","","has coordinates","236479","2020-10-21","18:00:00",""
"7236751","7.859","0.0009","10.4832","0.0012","17.157","0.002","80.866","0.003","80.625","0.003","85.192","0.004","1374.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Au N -","- C14 H16 Au N -","- C56 H64 Au4 N4 -","4","2","","Yamada, Shigeyuki; Yamaguchi, Shun; Tsutsumi, Osamu","Electron-density distribution tuning for enhanced thermal stability of luminescent gold complexes","Journal of Materials Chemistry C","2017","5","31","7977","","10.1039/C7TC00728K","","","0.71073","","","0.109","0.0945","","","0.2667","0.2857","","","","","","1.778","","","","has coordinates","236479","2020-10-21","18:00:00",""
"7236752","17.1058","0.0011","7.6742","0.0004","36.409","0.003","90","","90","","90","","4779.5","0.6","103.6","","103.6","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H23 N -","- C36 H23 N -","- C288 H184 N8 -","8","1","","Cai, Minghan; Song, Xiaozeng; Zhang, Dongdong; Qiao, Juan; Duan, Lian","π–π stacking: a strategy to improve the electron mobilities of bipolar hosts for TADF and phosphorescent devices with low efficiency roll-off","Journal of Materials Chemistry C","2017","5","13","3372","","10.1039/C7TC00733G","","","0.7107","MoKα","","0.0767","0.0595","","","0.116","0.1256","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236753","9.7759","0.0004","17.9916","0.0007","27.8822","0.0011","101.316","0.003","100.085","0.003","97.853","0.003","4659.5","0.3","103.2","","103.2","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H23 N -","- C36 H23 N -","- C288 H184 N8 -","8","4","","Cai, Minghan; Song, Xiaozeng; Zhang, Dongdong; Qiao, Juan; Duan, Lian","π–π stacking: a strategy to improve the electron mobilities of bipolar hosts for TADF and phosphorescent devices with low efficiency roll-off","Journal of Materials Chemistry C","2017","5","13","3372","","10.1039/C7TC00733G","","","0.7107","MoKα","","0.1418","0.0695","","","0.1275","0.1604","","","","","","1.035","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236754","5.55642","0.00018","4.79489","0.00014","26.6236","0.0009","90","","93.307","0.003","90","","708.14","0.04","100","0.18","100","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O -","- C6 H13 N O -","- C24 H52 N4 O4 -","4","1","","Zhang, Qin; Mao, Qiuyun; Shang, Cong; Chen, Ya-Nan; Peng, Xin; Tan, Hongwei; Wang, Huiliang","Simple aliphatic oximes as nonconventional luminogens with aggregation-induced emission characteristics","Journal of Materials Chemistry C","2017","5","15","3699","","10.1039/C7TC00783C","","x-ray","1.54184","CuKα","","0.0357","0.0337","","","0.0947","0.0962","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236755","21.2811","0.0013","7.9273","0.0005","17.6973","0.0011","90","","90","","90","","2985.6","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","k130801","Ir(dfCF3)2acac","","- C31 H21 F10 Ir N2 O2 -","- C31 H21 F10 Ir N2 O2 -","- C124 H84 F40 Ir4 N8 O8 -","4","0.5","","Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes","Journal of Materials Chemistry C","2017","5","18","4480","","10.1039/C7TC00844A","","","0.71073","MoKα","","0.0393","0.0294","","","0.0743","0.0821","","","","","","0.983","","","","has coordinates","236485","2020-10-21","18:00:00",""
"7236756","10.044","0.004","13.686","0.005","17.345","0.007","107.895","0.006","96.247","0.007","107.337","0.006","2112.5","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","k161103","Ir(dfCF3)2bor","","- C38 H26 B F10 Ir N10 -","- C38 H26 B F10 Ir N10 -","- C76 H52 B2 F20 Ir2 N20 -","2","1","","Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes","Journal of Materials Chemistry C","2017","5","18","4480","","10.1039/C7TC00844A","","","0.71073","MoKα","","0.0476","0.0392","","","0.096","0.0994","","","","","","0.985","","","","has coordinates","236485","2020-10-21","18:00:00",""
"7236757","12.3776","0.0007","11.0464","0.0006","25.9094","0.0012","90","","111.236","0.002","90","","3302","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ir(dfCF3)2pic","","- C32 H18 F10 Ir N3 O2 -","- C32 H18 F10 Ir N3 O2 -","- C128 H72 F40 Ir4 N12 O8 -","4","1","","Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes","Journal of Materials Chemistry C","2017","5","18","4480","","10.1039/C7TC00844A","","","0.71073","MoKα","","0.0383","0.03","","","0.0774","0.0814","","","","","","0.928","","","","has coordinates","236485","2020-10-21","18:00:00",""
"7236758","8.9262","0.0004","18.4737","0.0007","13.1212","0.0005","90","","94.02","0.002","90","","2158.36","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cu2 I2 N4 P2 -","- C45 H42 Cu2 I2 N4 P2 -","- C90 H84 Cu4 I4 N8 P4 -","2","0.5","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0529","0.0328","","","0.0649","0.0719","","","","","","1.005","","","","has coordinates,has disorder","236488","2020-10-21","18:00:00",""
"7236759","8.3","0.0003","9.2088","0.0004","14.4351","0.0006","79.195","0.002","76.687","0.002","63.524","0.002","956.5","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu I N P -","- C21 H19 Cu I N P -","- C42 H38 Cu2 I2 N2 P2 -","2","1","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.036","0.0271","","","0.0606","0.0643","","","","","","1.015","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236760","11.9531","0.0004","14.6004","0.0005","15.7384","0.0006","113.628","0.001","102.747","0.002","94.386","0.002","2412.23","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cu2 I2 N4 P2 -","- C52 H46 Cu2 I2 N4 P2 -","- C104 H92 Cu4 I4 N8 P4 -","2","1","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0398","0.0273","","","0.0603","0.0657","","","","","","1.033","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236761","9.2967","0.0004","9.6556","0.0004","13.6494","0.0006","71.076","0.002","72.817","0.002","73.955","0.002","1084.95","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Cu2 I2 N4 P2 -","- C46 H42 Cu2 I2 N4 P2 -","- C46 H42 Cu2 I2 N4 P2 -","1","0.5","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0245","0.0197","","","0.0449","0.0467","","","","","","1.073","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236762","9.3013","0.0003","11.5128","0.0004","11.6191","0.0005","80.231","0.002","71.464","0.002","69.554","0.002","1102.95","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 Br2 Cu2 I2 N2 P2 -","- C46 H38 Br2 Cu2 I2 N2 P2 -","- C46 H38 Br2 Cu2 I2 N2 P2 -","1","0.5","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0375","0.027","","","0.0582","0.062","","","","","","1.012","","","","has coordinates","236488","2020-10-21","18:00:00",""
"7236763","15.1834","0.0007","21.2369","0.0009","17.6739","0.0007","90","","115.349","0.002","90","","5150.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H56 Cu2 I2 N2 P2 -","- C57 H50 Cu2 I2 N2 P2 -","- C228 H200 Cu8 I8 N8 P8 -","4","1","","Liu, Wei; Zhu, Kun; Teat, Simon J.; Deibert, Benjamin J.; Yuan, Wenbing; Li, Jing","A mechanochemical route toward the rational, systematic, and cost-effective green synthesis of strongly luminescent copper iodide based hybrid phosphors","Journal of Materials Chemistry C","2017","5","24","5962","","10.1039/C7TC00889A","","","0.7749","synchrotron","","0.0449","0.0287","","","0.0563","0.0617","","","","","","1.014","","","","has coordinates,has disorder","236488","2020-10-21","18:00:00",""
"7236764","9.3615","0.0003","10.624","0.0003","12.5081","0.0003","79.653","0.002","89.326","0.002","66.439","0.002","1119.27","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Dy N2 O9 -","- C21 H21 Dy N2 O9 -","- C42 H42 Dy2 N4 O18 -","2","1","","Xia, Tifeng; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A luminescent ratiometric thermometer based on thermally coupled levels of a Dy-MOF","Journal of Materials Chemistry C","2017","5","21","5044","","10.1039/C7TC00921F","","","0.71073","MoKα","","0.0543","0.0368","","","0.0715","0.0779","","","","","","1.031","","","","has coordinates","236490","2020-10-21","18:00:00",""
"7236765","6.2564","0.0005","11.3834","0.001","17.9585","0.0015","97.453","0.002","94.502","0.002","96.73","0.002","1253.73","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O -","- C28 H28 N4 O -","- C56 H56 N8 O2 -","2","1","","Wu, Jieyun; Wang, Wen; Gong, Chaoyang; Li, Qing; Li, Zhonghui; Deng, Guowei; Zhang, Xiaoling; Chen, Kaixin; Gong, Yuan; Chiang, Kin seng","Tuning the strength of intramolecular charge-transfer of triene-based nonlinear optical dyes for electro-optics and optofluidic lasers","Journal of Materials Chemistry C","2017","5","30","7472","","10.1039/C7TC00958E","","","0.71073","MoKα","","0.091","0.0483","","","0.1204","0.1463","","","","","","1.012","","","","has coordinates","236492","2020-10-21","18:00:00",""
"7236766","10.9395","0.0014","8.3215","0.0011","17.16","0.002","90","","90","","90","","1562.1","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H16 O2 S2 -","- C17 H16 O2 S2 -","- C68 H64 O8 S8 -","4","0.5","","Wang, Jiaxing; Gao, Ya; Zhang, Junji; Tian, He","Invisible photochromism and optical anti-counterfeiting based on D‒A type inverse diarylethene","Journal of Materials Chemistry C","2017","5","18","4571","","10.1039/C7TC00962C","","","0.71073","MoKα","","0.0493","0.04","","","0.1104","0.1185","","","","","","1.072","","","","has coordinates","236493","2020-10-21","18:00:00",""
"7236767","9.421","0.008","15.789","0.012","22.299","0.018","90","","102.2","","90","","3242","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Eu N6 O13 Zn -","- C29 H25 Eu N6 O13 Zn -","- C116 H100 Eu4 N24 O52 Zn4 -","4","1","","Liu, Lin; Li, Hongyan; Su, Peiyang; Zhang, Zhao; Fu, Guorui; Li, Baoning; Lü, Xingqiang","Red to white polymer light-emitting diode (PLED) based on Eu3±-Zn2±-Gd3±containing metallopolymer","Journal of Materials Chemistry C","2017","5","19","4780","","10.1039/C7TC01054K","","","0.71073","MoKα","","0.1512","0.0647","","","0.1472","0.1856","","","","","","0.797","","","","has coordinates","236495","2020-10-21","18:00:00",""
"7236768","6.5974","0.0001","13.7002","0.0003","14.6244","0.0002","90","","92.59","0.002","90","","1320.49","0.04","100","0.6","100","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Br4 Fe N -","- C6 H14 Br4 Fe N -","- C24 H56 Br16 Fe4 N4 -","4","1","","Han, Shiguo; Zhang, Jing; Teng, Bing; Ji, Chengmin; Zhang, Weichuan; Sun, Zhihua; Luo, Junhua","Inorganic‒organic hybrid switchable dielectric materials with the coexistence of magnetic anomalies induced by reversible high-temperature phase transition","Journal of Materials Chemistry C","2017","5","33","8509","","10.1039/C7TC01085K","","","1.54184","CuKα","","0.0917","0.0889","","","0.2314","0.2364","","","","","","1.09","","","","has coordinates","236497","2020-10-21","18:00:00",""
"7236769","9.9932","0.0004","9.5392","0.0004","14.8097","0.0005","90","","90","","90","","1411.77","0.09","345","0.1","345","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H14 Br4 Fe N -","- C6 H14 Br4 Fe N -","- C24 H56 Br16 Fe4 N4 -","4","0.25","","Han, Shiguo; Zhang, Jing; Teng, Bing; Ji, Chengmin; Zhang, Weichuan; Sun, Zhihua; Luo, Junhua","Inorganic‒organic hybrid switchable dielectric materials with the coexistence of magnetic anomalies induced by reversible high-temperature phase transition","Journal of Materials Chemistry C","2017","5","33","8509","","10.1039/C7TC01085K","","","1.54178","CuKα","","0.0628","0.054","","","0.1477","0.1588","","","","","","1.024","","","","has coordinates","236497","2020-10-21","18:00:00",""
"7236770","17.0741","0.0012","18.7485","0.0014","16.4301","0.0012","90","","113.064","0.002","90","","4839.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61.5 H45 Cl N4 Si -","- C61.5 H45 Cl N4 Si -","- C246 H180 Cl4 N16 Si4 -","4","1","","Lin, Gengwei; Chen, Long; Peng, Huiren; Chen, Shuming; Zhuang, Zeyan; Li, Yinghao; Wang, Bohan; Zhao, Zujin; Tang, Ben Zhong","3,4-Donor- and 2,5-acceptor-functionalized dipolar siloles: synthesis, structure, photoluminescence and electroluminescence","Journal of Materials Chemistry C","2017","5","20","4867","","10.1039/C7TC01217A","","","0.71073","MoKα","","0.148","0.0665","","","0.1548","0.1896","","","","","","1.029","","","","has coordinates","236499","2020-10-21","18:00:00",""
"7236771","29.848","0.002","8.1482","0.0006","15.0184","0.0009","90","","93.207","0.003","90","","3646.9","0.4","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 F6 K N3 O8 P -","- C31 H49 F6 K N3 O8 P -","- C124 H196 F24 K4 N12 O32 P4 -","4","1","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-ichi; Akutagawa, Tomoyuki","Dual fluorescent zwitterionic organogels of a quinoxalinone derivative using cation–anion detection keys","Journal of Materials Chemistry C","2017","5","25","6234","","10.1039/C7TC01242J","","","1.54187","CuKα","","0.2399","0.1384","","","0.3916","0.4666","","","","","","1.261","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236772","8.09104","0.00019","16.5137","0.0004","37.7683","0.0011","90.978","0.0013","95.1588","0.0014","90.1324","0.0012","5025.1","0.2","89","","89","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H88 N4 O10 -","- C47 H84 N4 O10 -","- C188 H336 N16 O40 -","4","2","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-ichi; Akutagawa, Tomoyuki","Dual fluorescent zwitterionic organogels of a quinoxalinone derivative using cation‒anion detection keys","Journal of Materials Chemistry C","2017","5","25","6234","","10.1039/C7TC01242J","","","1.54187","CuKα","","0.227","0.133","","","0.3109","0.3768","","","","","","0.969","","","","has coordinates","236501","2020-10-21","18:00:00",""
"7236773","22.5096","0.0006","23.769","0.0006","33.7136","0.0006","95.064","0.002","98.276","0.002","110.727","0.002","16504.7","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C180 H131 Cl0 N4 S0 -","- C180 H131.007 N4 -","- C720 H524.03 N16 -","4","2","","Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","NIR mechanochromic behaviours of a tetracyanoethylene-bridged hexa-peri-hexabenzocoronene dimer and trimer through dissociation of C‒C bonds","Journal of Materials Chemistry C","2017","5","22","5310","","10.1039/C7TC01270E","","","0.71073","MoKα","","0.162","0.0967","","","0.2599","0.2915","","","","","","0.97","","","","has coordinates,has disorder","236503","2020-10-21","18:00:00",""
"7236774","27.082","0.003","18.0169","0.0019","29.236","0.003","90","","90","","90","","14265","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H34 N4 O Pt -","- C42 H34 N4 O Pt -","- C672 H544 N64 O16 Pt16 -","16","2","","Li, Jing; Liang, Feng; Zhao, Yue; Liu, Xiang-Yang; Fan, Jian; Liao, Liang-Sheng","Highly phosphorescent cyclometalated platinum(ii) complexes based on 2-phenylbenzimidazole-containing ligands","Journal of Materials Chemistry C","2017","5","25","6202","","10.1039/C7TC01369H","","","0.71073","MoKα","","0.0828","0.043","","","0.0877","0.1024","","","","","","1.019","","","","has coordinates","236505","2020-10-21","18:00:00",""
"7236775","8.0849","0.0008","8.3286","0.0009","10.9474","0.0011","94.865","0.002","111.294","0.002","96.125","0.002","676.81","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","(2Z,4Z)-3,4-dihydroxy-1,6-bis(4-(hexyloxy) phenyl)hexa-2,4-diene-1,6-dione","","- C30 H38 O6 -","- C30 H38 O6 -","- C30 H38 O6 -","1","0.5","","Chen, Ya-Wen; Lin, Yen-Chun; Kuo, Hsiu-Ming; Lai, Chung K.","Fluorescent columnar bis(boron difluoride) complexes derived from tetraketonates","Journal of Materials Chemistry C","2017","5","22","5465","","10.1039/C7TC01425B","","","0.71073","MoKα","","0.0638","0.0447","","","0.1147","0.1256","","","","","","1.031","","","","has coordinates","236507","2020-10-21","18:00:00",""
"7236776","7.1844","0.0002","8.0944","0.0002","20.2275","0.0004","94.3001","0.0006","98.6972","0.0006","102.674","0.0006","1127.28","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","bis(borondifluoride) complex of (2Z,4Z)- 3,4-dihydroxy-1,6-bis(4-(tetradecyloxy)phenyl)hexa-2,4-diene-1,6-dione","","- C46 H68 B2 F4 O6 -","- C46 H68 B2 F4 O6 -","- C46 H68 B2 F4 O6 -","1","0.5","","Chen, Ya-Wen; Lin, Yen-Chun; Kuo, Hsiu-Ming; Lai, Chung K.","Fluorescent columnar bis(boron difluoride) complexes derived from tetraketonates","Journal of Materials Chemistry C","2017","5","22","5465","","10.1039/C7TC01425B","","","1.54178","CuKα","","0.0429","0.0388","","","0.1147","0.1184","","","","","","1.06","","","","has coordinates","236507","2020-10-21","18:00:00",""
"7236777","22.809","0.006","17.989","0.004","15.485","0.007","90","","131.863","0.003","90","","4732","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BDPP","1,4-Diketo-2,5-dibutyl-3,6-di(p-chlorophenyl)pyrrolo[3,4,c]pyrrole","","- C26 H26 Cl2 N2 O2 -","- C26 H26 Cl2 N2 O2 -","- C208 H208 Cl16 N16 O16 -","8","1","","Ying, Shian; Chen, Mingshuai; Liu, Zhongwei; Zheng, Meng; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","Unusual mechanohypsochromic luminescence and unique bidirectional thermofluorochromism of long-alkylated simple DPP dyes","Journal of Materials Chemistry C","2017","5","24","5994","","10.1039/C7TC01453H","","","0.71073","MoKα","","0.0816","0.0586","","","0.1359","0.1522","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236778","21.085","0.004","4.8864","0.0008","21.502","0.004","90","","113.73","0.02","90","","2028","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TDPP","1,4-diketo-2,5-di(tetradecyl)-3,6-bis-(4-chlorophenyl)pyrrolo[3,4-c]pyrrole","","- C46 H66 Cl2 N2 O2 -","- C46 H66 Cl2 N2 O2 -","- C92 H132 Cl4 N4 O4 -","2","0.5","","Ying, Shian; Chen, Mingshuai; Liu, Zhongwei; Zheng, Meng; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","Unusual mechanohypsochromic luminescence and unique bidirectional thermofluorochromism of long-alkylated simple DPP dyes","Journal of Materials Chemistry C","2017","5","24","5994","","10.1039/C7TC01453H","","","1.54184","CuKα","","0.061","0.0447","","","0.1081","0.1308","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236779","8.989","0.0018","14.612","0.003","7.2748","0.0015","90","","93.86","0.03","90","","953.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl3 Mn N2 O -","- C4 H9 Cl3 Mn N2 O -","- C16 H36 Cl12 Mn4 N8 O4 -","4","1","","Guo, Qiang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Red-light emission and dielectric reversible duple opto-electronic switches in a hybrid multifunctional material: (2-methylimidazolium)MnCl3(H2O)","Journal of Materials Chemistry C","2017","5","22","5458","","10.1039/C7TC01520H","","","0.71073","MoKα","","0.1148","0.0944","","","0.3399","0.3455","","","","","","1.068","","","","has coordinates,has disorder","236509","2020-10-21","18:00:00",""
"7236780","26.896","0.003","14.523","0.003","7.2525","0.001","90","","93.862","0.007","90","","2826.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl3 Mn N2 O -","- C4 H9 Cl3 Mn N2 O -","- C48 H108 Cl36 Mn12 N24 O12 -","12","3","","Guo, Qiang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Red-light emission and dielectric reversible duple opto-electronic switches in a hybrid multifunctional material: (2-methylimidazolium)MnCl3(H2O)","Journal of Materials Chemistry C","2017","5","22","5458","","10.1039/C7TC01520H","","","0.71073","MoKα","","0.1315","0.1015","","","0.3216","0.3425","","","","","","1.278","","","","has coordinates","236509","2020-10-21","18:00:00",""
"7236781","7.963","0.0018","8.0155","0.0018","10.948","0.002","103.904","0.004","101.576","0.004","113.133","0.005","588.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Boron diketonate","4BMBF","","- C11 H11 B F2 O3 S -","- C11 H11 B F2 O3 S -","- C22 H22 B2 F4 O6 S2 -","2","1","","Sriram Babu, Seenivasagaperumal; Shanmugam, Sivakumar","One-pot synthesis of boron diketonate complexes: photophysical properties and sensor for picric acid","Journal of Materials Chemistry C","2017","5","19","4788","","10.1039/C7TC01569K","","","0.71073","MoKα","","0.0363","0.0312","","","0.0786","0.0811","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236782","3.7206","0.0002","18.3471","0.0009","10.1369","0.0005","90","","98.126","0.003","90","","685.02","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C34 H26 N2 O10 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0952","0.0595","","","0.1616","0.1987","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236783","6.9658","0.0004","8.0624","0.0005","14.6322","0.0009","75.678","0.004","81.535","0.004","88.527","0.004","787.5","0.08","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Cl3 O5 -","- C16 H11 Cl3 O5 -","- C32 H22 Cl6 O10 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0758","0.0531","","","0.1344","0.1444","","","","","","1.127","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236784","16.6526","0.0009","13.0136","0.0006","7.1164","0.0004","90","","101.118","0.003","90","","1513.25","0.14","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0921","0.0467","","","0.107","0.1243","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236785","5.052","0.0007","13.1936","0.0017","13.2923","0.0017","112.28","0.005","97.693","0.005","92.622","0.005","807.95","0.19","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O7 -","- C19 H18 O7 -","- C38 H36 O14 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0786","0.0568","","","0.1753","0.2006","","","","","","1.074","","","","has coordinates,has disorder","236512","2020-10-21","18:00:00",""
"7236786","4.2914","0.0003","10.3982","0.0007","16.1764","0.001","81.924","0.004","89.829","0.004","85.327","0.004","712.28","0.08","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.0674","0.0475","","","0.1325","0.1594","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236787","3.8735","0.0005","15.89","0.002","21.215","0.003","90","","92.664","0.006","90","","1304.4","0.3","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","","Li, Meiqi; Zhang, Qi; He, Hongyan; Wang, Jian-Rong; Mei, Xuefeng","Vapor triggered fluorescent color changes among solvates of Emodin","Journal of Materials Chemistry C","2017","5","24","5970","","10.1039/C7TC01593C","","","0.71073","MoKα","","0.1694","0.0679","","","0.1726","0.2248","","","","","","0.965","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236788","9.5428","0.0013","10.2866","0.0011","12.734","0.0014","68.61","0.008","85.612","0.011","72.461","0.009","1109","0.2","133","2","133.15","","","","","","","","","4","P -1","-P 1","2","","DCPP","","- C30 H21 N2 P -","- C30 H21 N2 P -","- C60 H42 N4 P2 -","2","1","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","","0.71073","MoKα","","0.0351","0.0321","","","0.0861","0.0876","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236789","17.17","0.002","9.1604","0.001","17.355","0.002","90","","99.83","0.002","90","","2689.6","0.5","133.15","","133.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TCP","","- C36 H24 N3 P -","- C36 H24 N3 P -","- C144 H96 N12 P4 -","4","1","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","","0.71073","MoKα","","0.0486","0.0439","","","0.1115","0.1161","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236790","9.7137","0.0011","16.0797","0.0015","16.786","0.0019","118.304","0.008","102.154","0.014","94.713","0.011","2205.6","0.5","133","2","133.15","","","","","","","","","5","P -1","-P 1","2","","DCPPO","","- C30 H21 N2 O P -","- C30 H21 N2 O P -","- C120 H84 N8 O4 P4 -","4","2","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","","0.71073","MoKα","","0.0535","0.0388","","","0.0908","0.0976","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236791","16.8479","0.0005","8.9589","0.0002","18.2273","0.0005","90","","102.54","0.003","90","","2685.57","0.13","180","0.3","180","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TCPO","tri(9H-carbazol-9-yl)phosphine oxide","","- C36 H24 N3 O P -","- C36 H24 N3 O P -","- C144 H96 N12 O4 P4 -","4","1","","Zhao, Zifeng; Yu, Gang; Chang, Qiaowen; Liu, Xiaochen; Liu, Yang; Wang, Liding; Liu, Zhiwei; Bian, Zuqiang; Liu, Weiping; Huang, Chunhui","Carbazolylphosphines and carbazolylphosphine oxides: facilely synthesized host materials with tunable mobilities and high triplet energy levels for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2017","5","29","7344","","10.1039/C7TC01594A","","x-ray","0.71073","MoKα","","0.0387","0.0345","","","0.0913","0.0938","","","","","","1.0336","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236792","7.881","0.004","11.54","0.007","15.256","0.008","75.47","0.018","87.554","0.018","78.835","0.018","1317.7","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 B N -","- C30 H40 B N -","- C60 H80 B2 N2 -","2","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.1407","0.0854","","","0.2244","0.2383","","","","","","1.181","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236793","8.4888","0.0004","16.5462","0.0007","32.8121","0.0014","90","","90","","90","","4608.7","0.4","373","2","373","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H36 B N -","- C28 H36 B N -","- C224 H288 B8 N8 -","8","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.073","0.0473","","","0.1031","0.1113","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236794","8.843","0.002","12.238","0.003","12.79","0.003","73.939","0.008","71.148","0.008","75.05","0.008","1236.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 B N2 -","- C28 H37 B N2 -","- C56 H74 B2 N4 -","2","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0777","0.0648","","","0.2082","0.2193","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236795","8.49","0.002","11.754","0.003","12.334","0.003","106.332","0.013","96.924","0.013","102.979","0.012","1128.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 B N -","- C26 H32 B N -","- C52 H64 B2 N2 -","2","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0832","0.0649","","","0.1924","0.2037","","","","","","1.269","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236796","8.4233","0.0003","15.8089","0.0006","16.7308","0.0006","99.825","0.002","101.361","0.002","100.19","0.002","2100.5","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 B N2 -","- C24 H29 B N2 -","- C96 H116 B4 N8 -","4","2","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0516","0.0441","","","0.1202","0.1247","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236797","8.6548","0.0011","12.1919","0.0013","39.327","0.004","90","","90.715","0.007","90","","4149.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 B2 N4 -","- C48 H58 B2 N4 -","- C192 H232 B8 N16 -","4","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.0814","0.0557","","","0.1361","0.1483","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236798","24.556","0.004","24.556","0.004","17.68","0.003","90","","90","","90","","10661","3","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C128 H208 Co4 N40 O76 P8 -","- C128 H120 Co4 N32 O25 P8 -","- C256 H240 Co8 N64 O50 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1589","0.0861","","","0.2665","0.3228","","","","","","1.058","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236799","24.58","0.003","24.58","0.003","17.611","0.003","90","","90","","90","","10640","3","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H206 Co4 Cs N41 O78 P8 -","- C128 H120 Co4 Cs N32 O25.992 P8 -","- C256 H240 Co8 Cs2 N64 O51.984 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0556","0.0375","","","0.1002","0.1133","","","","","","1.028","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236800","24.81","0.002","24.81","0.002","17.8094","0.0015","90","","90","","90","","10962.3","1.6","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C128 H204 N40 Ni4 O74 P8 -","- C128 H120 N32 Ni4 O25 P8 -","- C256 H240 N64 Ni8 O50 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1308","0.0668","","","0.1981","0.2478","","","","","","1.066","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236801","24.524","0.012","24.524","0.012","17.661","0.008","90","","90","","90","","10622","9","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H202.5 Co4 N40.25 Na0.25 O74 P8 -","- C128 H120 Co4 N32 Na0.25 O22.25 P8 -","- C256 H240 Co8 N64 Na0.5 O44.5 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.2055","0.0879","","","0.2355","0.3072","","","","","","0.947","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236802","24.382","0.002","24.382","0.002","17.522","0.003","90","","90","","90","","10417","2","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H186 K N41 Ni4 O68 P8 -","- C128 H120 K N32 Ni4 O24 P8 -","- C256 H240 K2 N64 Ni8 O48 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.09","0.0495","","","0.1333","0.1602","","","","","","1.036","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236803","24.57","0.008","24.57","0.008","17.699","0.007","90","","90","","90","","10685","6","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H194 N41 Ni4 O72 P8 Rb -","- C128 H120 N32 Ni4 O25 P8 Rb -","- C256 H240 N64 Ni8 O50 P16 Rb2 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1893","0.0618","","","0.1452","0.1943","","","","","","0.963","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236804","24.399","0.007","24.399","0.007","17.576","0.005","90","","90","","90","","10463","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H189.5 N40.25 Na0.25 Ni4 O67.5 P8 -","- C128 H120 N32 Na0.25 Ni4 O22.75 P8 -","- C256 H240 N64 Na0.5 Ni8 O45.5 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0653","0.052","","","0.1496","0.1664","","","","","","1.081","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236805","24.404","0.004","24.404","0.004","17.589","0.003","90","","90","","90","","10475","3","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H198 Co4 K N41 O74 P8 -","- C128 H120 Co4 K N32 O24 P8 -","- C256 H240 Co8 K2 N64 O48 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1907","0.0692","","","0.1819","0.2402","","","","","","0.977","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236806","24.507","0.006","24.507","0.006","17.716","0.006","90","","90","","90","","10640","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H200 Co4 Li N41 O75 P8 -","- C128 H120 Co4 Li N32 O23 P8 -","- C256 H240 Co8 Li2 N64 O46 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.2302","0.0876","","","0.2399","0.3234","","","","","","0.964","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236807","24.222","0.007","24.222","0.007","17.62","0.004","90","","90","","90","","10338","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H183 Li N41 Ni4 O66.5 P8 -","- C128 H120 Li N32 Ni4 O23 P8 -","- C256 H240 Li2 N64 Ni8 O46 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.1889","0.0693","","","0.1823","0.2468","","","","","","0.996","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236808","24.651","0.003","24.651","0.003","17.773","0.002","90","","90","","90","","10800","2","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H208 Co4 N41 O79 P8 Rb -","- C128 H120 Co4 N32 O25 P8 Rb -","- C256 H240 Co8 N64 O50 P16 Rb2 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0749","0.0503","","","0.1431","0.1623","","","","","","1.044","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236809","24.462","0.006","24.462","0.006","17.608","0.005","90","","90","","90","","10536","5","100","2","100","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C128 H190 Cs N41 Ni4 O70 P8 -","- C128 H120 Cs N32 Ni4 O26.008 P8 -","- C256 H240 Cs2 N64 Ni8 O52.016 P16 -","2","0.125","","Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy","Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations","Journal of Materials Chemistry C","2017","5","29","7352","","10.1039/C7TC01758H","","","0.71073","MoKα","","0.0952","0.0446","","","0.1121","0.1368","","","","","","1.032","","","","has coordinates,has disorder","236525","2020-10-21","18:00:00",""
"7236810","13.862","0.003","7.756","0.0016","27.693","0.006","90","","90","","90","","2977.4","1.1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H14 F10 S2 -","- C38 H14 F10 S2 -","- C152 H56 F40 S8 -","4","0.5","","Li, Jinfeng; Ni, Zhenjie; Zhang, Xiaotao; Li, Rongjin; Dong, Huanli; Hu, Wenping","Enhanced stability of a rubrene analogue with a brickwork packing motif","Journal of Materials Chemistry C","2017","5","33","8376","","10.1039/C7TC01790A","","","0.71073","MoKα","","0.1336","0.1122","","","0.1644","0.1717","","","","","","1.378","","","","has coordinates,has disorder","236529","2020-10-21","18:00:00",""
"7236811","7.894","0.002","10.124","0.003","17.373","0.005","90.685","0.008","91.955","0.008","90.136","0.01","1387.5","0.7","123","","123","","","","","","","","","3","P -1","-P 1","2","U-BBTT-8","2,10-dioctyl-bis(benzo[4,5]thieno)[2,3-b:3',2'-d]thiophene","","- C32 H40 S3 -","- C32 H40 S3 -","- C64 H80 S6 -","2","1","","Mori, Tatsuya; Oyama, Tatsuya; Komiyama, Hideaki; Yasuda, Takuma","Solution-grown unidirectionally oriented crystalline thin films of a U-shaped thienoacene-based semiconductor for high-performance organic field-effect transistors","Journal of Materials Chemistry C","2017","5","24","5872","","10.1039/C7TC01836C","","","0.71075","MoKα","","0.0613","0.0526","","","0.123","0.1293","","","","","","1.132","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236812","17.5869","0.0009","11.4858","0.0006","20.3691","0.0013","90","","92.352","0.005","90","","4111.1","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H52 Br2 N2 O2 -","- C47 H52 Br2 N2 O2 -","- C188 H208 Br8 N8 O8 -","4","2","","Skórka, Łukasz; Mouesca, Jean-Marie; Gosk, Jacek B.; Puźniak, Roman; Pécaut, Jacques; Maurel, Vincent; Kulszewicz-Bajer, Irena","Towards enhancing spin states in doped arylamine compounds through extended planarity of the spin coupling moieties","Journal of Materials Chemistry C","2017","5","26","6563","","10.1039/C7TC01932G","","","0.71073","MoKα","","0.1269","0.0766","","","0.158","0.1851","","","","","","1.054","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236813","11.152","0.002","9.6889","0.0019","30.579","0.006","90","","97.11","0.03","90","","3278.7","1.1","173.15","","173.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C176 H160 N16 -","8","2","","Li, Zhi-Zhou; Wang, Xue-Dong; Liao, Liang-Sheng","Luminescence-/morphology-modulation of organic microcrystals by a protonation process","Journal of Materials Chemistry C","2017","5","27","6661","","10.1039/C7TC02013A","","","0.71073","MoKα","","0.1216","0.0977","","","0.2233","0.2441","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236814","16.287","0.012","9.623","0.007","15.636","0.012","90","","113.41","0.04","90","","2249","3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl6 Mn N2 O2 -","- C12 H30 Cl6 Mn N2 O2 -","- C48 H120 Cl24 Mn4 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","0.71073","MoKα","","0.1234","0.0951","","","0.3279","0.3454","","","","","","1.131","","","","has coordinates","236537","2020-10-21","18:00:00",""
"7236815","16.394","0.016","9.763","0.009","15.901","0.015","90","","112.971","0.014","90","","2343","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl6 Mn N2 O2 -","- C12 H30 Cl6 Mn N2 O2 -","- C48 H120 Cl24 Mn4 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","0.71073","MoKα","","0.1319","0.0919","","","0.3246","0.3462","","","","","","1.122","","","","has coordinates,has disorder","236537","2020-10-21","18:00:00",""
"7236816","16.44","0.003","9.787","0.002","15.935","0.003","90","","113.23","0.03","90","","2356.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cd Cl6 N2 O2 -","- C12 H30 Cd Cl6 N2 O2 -","- C48 H120 Cd4 Cl24 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","0.71073","MoKα","","0.0881","0.076","","","0.2056","0.2154","","","","","","1.052","","","","has coordinates,has disorder","236537","2020-10-21","18:00:00",""
"7236817","16.407","0.014","9.691","0.007","15.708","0.013","90","","113.897","0.013","90","","2283","3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H29 Cd Cl6 N2 O2 -","- C12 H29 Cd Cl6 N2 O2 -","- C48 H116 Cd4 Cl24 N8 O8 -","4","0.5","","Xu, Chang; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Fast and slow integrated single-molecule dual dielectric switch based on a crystal/flexible thin film","Journal of Materials Chemistry C","2017","5","28","6945","","10.1039/C7TC02087B","","","","","","0.119","","","","","","","","","","","","","","","has coordinates","236537","2020-10-21","18:00:00",""
"7236818","14.917","0.002","24.663","0.003","20.762","0.003","90","","93.468","0.005","90","","7624.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H67 B2 F4 N2 O6 -","- C93.93 H63.93 B2 F4 N2 O4 -","- C375.72 H255.72 B8 F16 N8 O16 -","4","1","","Qi, Yunpeng; Wang, Yongtao; Ge, Guixian; Liu, Zhiyong; Yu, Yongjiang; Xue, Mei","Multi-state emission properties and the inherent mechanism of D‒A‒D type asymmetric organic boron complexes","Journal of Materials Chemistry C","2017","5","42","11030","","10.1039/C7TC02115A","","","0.71073","MoKα","","0.2519","0.1566","","","0.4443","0.4941","","","","","","1.481","","","","has coordinates,has disorder","236539","2020-10-21","18:00:00",""
"7236819","8.3426","0.0009","11.4056","0.0011","19.6777","0.0018","81.77","0.003","84.375","0.003","87.955","0.004","1843.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 B F2 N O2 -","- C47 H32 B F2 N O2 -","- C94 H64 B2 F4 N2 O4 -","2","1","","Qi, Yunpeng; Wang, Yongtao; Ge, Guixian; Liu, Zhiyong; Yu, Yongjiang; Xue, Mei","Multi-state emission properties and the inherent mechanism of D‒A‒D type asymmetric organic boron complexes","Journal of Materials Chemistry C","2017","5","42","11030","","10.1039/C7TC02115A","","","0.71073","MoKα","","0.1148","0.0558","","","0.1287","0.1613","","","","","","0.967","","","","has coordinates","236541","2020-10-21","18:00:00",""
"7236820","8.393","0.005","11.122","0.007","21.214","0.013","97.698","0.017","96.901","0.015","91.598","0.018","1946","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 B F2 N O2 -","- C49 H38 B F2 N O2 -","- C98 H76 B2 F4 N2 O4 -","2","1","","Qi, Yunpeng; Wang, Yongtao; Ge, Guixian; Liu, Zhiyong; Yu, Yongjiang; Xue, Mei","Multi-state emission properties and the inherent mechanism of D‒A‒D type asymmetric organic boron complexes","Journal of Materials Chemistry C","2017","5","42","11030","","10.1039/C7TC02115A","","","0.71073","MoKα","","0.2587","0.114","","","0.3079","0.3985","","","","","","0.937","","","","has coordinates","236543","2020-10-21","18:00:00",""
"7236821","16.542","0.0013","13.6955","0.0011","23.0919","0.0019","90","","97.4996","0.0013","90","","5186.7","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(tnt-iq)2Irtpip","Bis(1-(2,6-bis(trifluoromethyl)pyridin-4-yl)isoquinoline)(tetraphenylimidodiphosphinate)iridium(III)","","- C56 H34 F12 Ir N5 O2 P2 -","- C56 H34 F12 Ir N5 O2 P2 -","- C224 H136 F48 Ir4 N20 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","","0.0501","0.0387","","","0.1013","0.1081","","","","","","1.036","","","","has coordinates","236545","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",""
"7236823","14.8734","0.0009","5.0259","0.0003","9.8407","0.0006","90","","102.44","0.0019","90","","718.34","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C44 H28 N4 -","2","0.5","","Más-Montoya, Miriam; Cerón-Carrasco, José Pedro; Hamao, Shino; Eguchi, Ritsuko; Kubozono, Yoshihiro; Tárraga, Alberto; Curiel, David","Synthesis and characterization of carbazolo[2,1-a]carbazole in thin film and single crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","28","7020","","10.1039/C7TC02139A","","","0.71073","MoKα","","0.0474","0.0411","","","0.1071","0.112","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236824","12.2141","0.0005","12.5271","0.0004","12.7251","0.0005","75.765","0.003","84.072","0.002","71.946","0.003","1793.56","0.12","173","1","173","1","","","","","","","","8","P -1","-P 1","2","","","","- C39 H37 F5 N O3 P Pt Si -","- C39 H37 F5 N O3 P Pt Si -","- C78 H74 F10 N2 O6 P2 Pt2 Si2 -","2","1","","Ezquerro, C.; Sepúlveda, A. E.; Grau-Atienza, A.; Serrano, E.; Lalinde, E.; Berenguer, J. R.; García-Martínez, J.","Organometallic phosphors as building blocks in sol‒gel chemistry: luminescent organometallo-silica materials","Journal of Materials Chemistry C","2017","5","37","9721","","10.1039/C7TC02188G","","x-ray","0.71073","MoKα","","0.0306","0.0296","","","0.0812","0.0821","","","","","","1.089","","","","has coordinates,has disorder","236548","2020-10-21","18:00:00",""
"7236825","18.8657","0.0014","7.6482","0.0004","31.436","0.002","90","","90","","90","","4535.9","0.5","200","2","200","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","TBH","","- C38 H20 -","- C38 H20 -","- C304 H160 -","8","1","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.1293","0.0554","","","0.1369","0.1865","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236826","13.1759","0.0003","7.4913","0.0002","18.1519","0.0005","90","","100.99","0.001","90","","1758.82","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","TBT","","- C30 H16 -","- C30 H16 -","- C120 H64 -","4","1","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.0636","0.0419","","","0.1029","0.1152","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236827","31.9402","0.0019","3.8977","0.0002","23.9483","0.0014","90","","116.35","0.004","90","","2671.6","0.3","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","TBO","","- C46 H24 -","- C46 H24 -","- C184 H96 -","4","0.5","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.2123","0.0804","","","0.1938","0.2895","","","","","","0.873","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236828","12.1404","0.0004","7.5623","0.0002","17.6416","0.0005","90","","97.621","0.002","90","","1605.36","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","TBN","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.0424","0.0337","","","0.0902","0.0971","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236829","8.5256","0.0017","16.023","0.003","17.85","0.004","66.28","0.03","84.01","0.03","76.94","0.03","2174.4","1","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H0 Cl N0 O0 Pt2 -","- C47 H38 Cl4 N6 O Pt2 -","- C94 H76 Cl8 N12 O2 Pt4 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0775","0.0721","","","0.2234","0.2286","","","","","","1.604","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236830","8.5256","0.0017","16.023","0.003","17.85","0.008","66.275","0.008","84.005","0.011","76.938","0.01","2174.3","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N6 O Pt2 -","- C35 H26 Cl2 N6 O Pt2 -","- C70 H52 Cl4 N12 O2 Pt4 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0634","0.0595","","","0.1527","0.1557","","","","","","1.089","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236831","11.891","0.002","14.27","0.003","14.277","0.003","64.4","0.03","77.81","0.03","71.21","0.03","2061","0.9","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Cl8 N6 O Pt2 -","- C39 H33 Cl8 N6 O Pt2 -","- C78 H66 Cl16 N12 O2 Pt4 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0369","0.0322","","","0.0591","0.0609","","","","","","1.147","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236832","17.353","0.002","13.8521","0.0017","25.76","0.003","90","","90","","90","","6192.1","1.3","173.15","","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H26 Cl2 N6 O Pt2 -","- C35 H26 Cl2 N6 O Pt2 -","- C280 H208 Cl16 N48 O8 Pt16 -","8","1","","Gong, Zhong-Liang; Zhong, Yu-Wu; Yao, Jiannian","Regulation of intra- and intermolecular Pt‒Pt and π‒π interactions of a U-shaped diplatinum complex to achieve pseudo-polymorphic emissions in solution and crystalline states","Journal of Materials Chemistry C","2017","5","29","7222","","10.1039/C7TC02282D","","","0.71073","MoKα","","0.0839","0.0729","","","0.1666","0.1729","","","","","","1.216","","","","has coordinates","236552","2020-10-21","18:00:00",""
"7236833","11.5534","0.0005","12.7423","0.0006","14.4329","0.0006","96.811","0.002","104.865","0.002","105.379","0.002","1940.01","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 Ir N5 O2 P -","- C46 H31 Ir N5 O2 P -","- C92 H62 Ir2 N10 O4 P2 -","2","1","","Zhang, Fuli; Si, Changfeng; Dong, Xiaobin; Wei, Donghui; Yang, Xin; Guo, Kunping; Wei, Bin; Li, Zhongyi; Zhang, Chi; Li, Suzhi; Zhai, Bin; Cao, Guangxiu","Iridium(iii) complexes bearing oxadiazol-substituted amide ligands: color tuning and application in highly efficient phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2017","5","35","9146","","10.1039/C7TC02420G","","","0.71073","MoKα","","0.048","0.0391","","","0.0715","0.0747","","","","","","1.065","","","","has coordinates,has disorder","236555","2020-10-21","18:00:00",""
"7236834","10.238","0.003","10.397","0.003","12.253","0.004","84.87","0.004","70.879","0.004","66.685","0.003","1130.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Cu5 N4 O20 -","- C52 H34 Cu5 N4 O20 -","- C52 H34 Cu5 N4 O20 -","1","0.5","","Zheng, Xubin; Fan, Ruiqing; Song, Yang; Wang, Ani; Xing, Kai; Du, Xi; Wang, Ping; Yang, Yulin","A highly sensitive turn-on ratiometric luminescent probe based on postsynthetic modification of Tb3+@Cu-MOF for H2S detection","Journal of Materials Chemistry C","2017","5","38","9943","","10.1039/C7TC02430D","","","0.71073","MoKα","","0.0593","0.049","","","0.1462","0.1518","","","","","","1.044","","","","has coordinates","236557","2020-10-21","18:00:00",""
"7236835","9.712","0.013","9.17","0.012","13.806","0.019","90","","107.846","0.016","90","","1170","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cu N2 O10 -","- C26 H16 Cu N2 O10 -","- C52 H32 Cu2 N4 O20 -","2","0.5","","Zheng, Xubin; Fan, Ruiqing; Song, Yang; Wang, Ani; Xing, Kai; Du, Xi; Wang, Ping; Yang, Yulin","A highly sensitive turn-on ratiometric luminescent probe based on postsynthetic modification of Tb3+@Cu-MOF for H2S detection","Journal of Materials Chemistry C","2017","5","38","9943","","10.1039/C7TC02430D","","","0.71073","MoKα","","0.0464","0.0343","","","0.1025","0.1213","","","","","","0.871","","","","has coordinates","236557","2020-10-21","18:00:00",""
"7236836","9.3476","0.0001","34.3019","0.0005","10.7754","0.0002","90","","105.905","0.001","90","","3322.76","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BmPOPB","","","- C42 H34 O3 P2 -","- C42 H34 O3 P2 -","- C168 H136 O12 P8 -","4","1","","Zhang, Qing; Wang, Bo; Tan, Jianghong; Mu, Guangyuan; Yi, Wei; Lv, Xialei; Zhuang, Shaoqing; Liu, Wei; Wang, Lei","Optimized electron-transport material based on m-terphenyl-diphenylphosphine oxide with the harmonious compatibility of high ET and electron mobility for highly efficient OLEDs","Journal of Materials Chemistry C","2017","5","33","8516","","10.1039/C7TC02459B","","","0.71073","MoKα","","0.0443","0.035","","","0.0821","0.0876","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236837","9.312","0.0014","10.7746","0.0016","19.176","0.003","101.083","0.002","96.617","0.003","111.519","0.002","1719.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","BpPOPB","BpPOPB","","- C42 H36 O4 P2 -","- C42 H32 O4 P2 -","- C84 H64 O8 P4 -","2","1","","Zhang, Qing; Wang, Bo; Tan, Jianghong; Mu, Guangyuan; Yi, Wei; Lv, Xialei; Zhuang, Shaoqing; Liu, Wei; Wang, Lei","Optimized electron-transport material based on m-terphenyl-diphenylphosphine oxide with the harmonious compatibility of high ET and electron mobility for highly efficient OLEDs","Journal of Materials Chemistry C","2017","5","33","8516","","10.1039/C7TC02459B","","","0.71073","MoKα","","0.0647","0.0576","","","0.1582","0.1634","","","","","","1.091","","","","has coordinates,has disorder","236558","2020-10-21","18:00:00",""
"7236838","9.7167","0.0003","17.316","0.0006","21.7331","0.0007","90","","102.549","0.003","90","","3569.3","0.2","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","lgc-108","","- C35 H39 F6 N O4 P S2 -","- C35 H39 F6 N O4 P S2 -","- C140 H156 F24 N4 O16 P4 S8 -","4","1","","Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing","Cation‒anion interaction directed dual-mode switchable mechanochromic luminescence","Journal of Materials Chemistry C","2017","5","33","8527","","10.1039/C7TC02497E","","x-ray","0.71073","MoKα","","0.1325","0.0939","","","0.2622","0.2986","","","","","","1.033","","","","has coordinates,has disorder","236563","2020-10-21","18:00:00",""
"7236839","18.0756","0.001","9.2768","0.0005","19.0097","0.001","90","","95.079","0.005","90","","3175.1","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","lgc-107","","- C33 H40 Br P -","- C33 H40 Br P -","- C132 H160 Br4 P4 -","4","1","","Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing","Cation‒anion interaction directed dual-mode switchable mechanochromic luminescence","Journal of Materials Chemistry C","2017","5","33","8527","","10.1039/C7TC02497E","","x-ray","0.71073","MoKα","","0.1511","0.0705","","","0.1946","0.2291","","","","","","0.996","","","","has coordinates,has disorder","236563","2020-10-21","18:00:00",""
"7236840","19.3848","0.0005","18.64","0.0005","16.7392","0.0004","90","","90","","90","","6048.4","0.3","133.84","0.1","133.84","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","TPMP PF6","","- C33 H40 F6 P2 -","- C33 H40 F6 P2 -","- C264 H320 F48 P16 -","8","1","","Li, Gaocan; Xu, Yangyang; Kong, Qunshou; Zhuang, Weihua; Wang, Yunbing","Cation–anion interaction directed dual-mode switchable mechanochromic luminescence","Journal of Materials Chemistry C","2017","5","33","8527","","10.1039/C7TC02497E","","x-ray","1.54184","CuKα","","0.1621","0.1403","","","0.4052","0.4326","","","","","","1.759","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236841","38.906","0.01","9.493","0.002","27.486","0.007","90","","102.749","0.005","90","","9901","4","130","2","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TPEtetracylhydrazine macrocycle","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","1","","Xie, Wen-Zhao; Zhang, Hong-Chao; Zheng, Yan-Song","Tetraphenylethylene tetracylhydrazine macrocycle with capability for discrimination of n-propanol from i-propanol and highly sensitive/selective detection of nitrobenzene","J. Mater. Chem. C","2017","5","40","10462","","10.1039/C7TC02525D","","","0.71073","MoKα","","0.1386","0.0838","","","0.2378","0.2675","","","","","","0.985","","","","has coordinates","236565","2020-10-21","18:00:00",""
"7236842","12.9931","0.0005","11.3571","0.0004","15.9701","0.0006","90","","109.323","0.002","90","","2223.86","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 S2 Si2 -","- C52 H56 S2 Si2 -","- C104 H112 S4 Si4 -","2","0.5","","Koldemir, Unsal; Tinkham, Jonathan S.; Johnson, Robert; Lim, Bogyu; Yemam, Henok A.; Gagnon, Kevin J.; Parkin, Sean; Sellinger, Alan","Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules","Journal of Materials Chemistry C","2017","5","34","8723","","10.1039/C7TC02528A","","","0.8857","","","0.0871","0.0504","","","0.1194","0.1375","","","","","","1.03","","","","has coordinates,has disorder","236567","2020-10-21","18:00:00",""
"7236843","8.5286","0.0008","13.2963","0.0016","15.0772","0.0019","64.392","0.009","89.43","0.009","89.359","0.008","1541.7","0.3","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 N2 O4 Si2 -","- C76 H86 N2 O4 Si2 -","- C76 H86 N2 O4 Si2 -","1","0.5","","Koldemir, Unsal; Tinkham, Jonathan S.; Johnson, Robert; Lim, Bogyu; Yemam, Henok A.; Gagnon, Kevin J.; Parkin, Sean; Sellinger, Alan","Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules","Journal of Materials Chemistry C","2017","5","34","8723","","10.1039/C7TC02528A","","","1.54178","CuKα","","0.1175","0.062","","","0.136","0.1619","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236844","7.26244","0.00011","17.2417","0.0003","11.68246","0.00015","90","","95.8807","0.0014","90","","1455.14","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BMO-PM","(Z)-4-((4'-methoxy-[1,1'-biphenyl]-4-yl)methylene)-2-methyloxazol-5(4H)-one","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0296","0.028","","","0.0722","0.0733","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236845","9.3274","0.0004","16.6999","0.0005","14.2408","0.0005","90","","95.215","0.004","90","","2209.06","0.14","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TPA-BMO","(Z)-4-((4'-(diphenylamino)-[1,1'-biphenyl]-4-yl)methylene)-2-methyloxazol-5(4H)-one","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C116 H88 N8 O8 -","4","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0529","0.0349","","","0.0844","0.0888","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236846","10.82841","0.00014","7.84591","0.0001","20.9791","0.0003","90","","90","","90","","1782.36","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMO","(Z)-4-benzylidene-2-methyloxazol-5(4H)-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0315","0.0301","","","0.0807","0.0817","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236847","27.923","0.0007","11.5399","0.0002","17.5406","0.0004","90","","102.171","0.002","90","","5525","0.2","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TPE-BMO","(Z)-2-methyl-4-((4'-(1,2,2-triphenylvinyl)-[1,1'-biphenyl]-4-yl)methylene)oxazol-5(4H)-one","","- C37 H27 N O2 -","- C37 H27 N O2 -","- C296 H216 N8 O16 -","8","2","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0701","0.0456","","","0.1132","0.1249","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236848","7.5049","0.0004","9.0156","0.0005","10.4168","0.0008","83.024","0.006","69.361","0.006","81.471","0.005","650.46","0.08","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","BMO-PF","(Z)-4-((9H-fluoren-2-yl)methylene)-2-methyloxazol-5(4H)-one","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C36 H26 N2 O4 -","2","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.54184","CuKα","","0.039","0.0353","","","0.0891","0.0919","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236849","3.9036","0.0002","13.2662","0.0008","13.377","0.0009","88.642","0.005","85.39","0.005","85.977","0.005","688.68","0.07","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","BMO-PC","(Z)-4'-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)-[1,1'-biphenyl]-4-carbonitrile","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0417","0.0362","","","0.092","0.0974","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236850","7.1873","0.0005","9.3467","0.0007","9.6678","0.0007","95.859","0.006","102.212","0.006","90.885","0.006","630.99","0.08","99.9","0.5","99.9","0.5","","","","","","","","4","P -1","-P 1","2","BMO-PH","(Z)-4-([1,1'-biphenyl]-4-ylmethylene)-2-methyloxazol-5(4H)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","","1.5418","CuKα","","0.0334","0.0303","","","0.0773","0.0798","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236851","11.9314","0.0008","12.5281","0.0008","14.8597","0.0011","90","","99.122","0.007","90","","2193.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.079","0.0563","","","0.1412","0.1552","","","","","","1.055","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236852","7.4049","0.0003","10.2673","0.0004","23.6399","0.0011","90","","90","","90","","1797.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B10 -","- C17 H22 B10 -","- C68 H88 B40 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.0399","0.0376","","","0.0956","0.097","","","","","","1.036","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236853","10.288","0.0004","20.7225","0.0007","15.8015","0.0006","90","","90","","90","","3368.8","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C128 H160 B80 -","8","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.0602","0.05","","","0.1462","0.1792","","","","","","1.149","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236854","10.1119","0.0005","16.5353","0.0008","12.9542","0.0007","90","","90.332","0.006","90","","2165.95","0.19","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H28 B10 Si -","- C19 H28 B10 Si -","- C76 H112 B40 Si4 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.058","0.0456","","","0.1147","0.1255","","","","","","0.997","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236855","10.7852","0.0007","15.126","0.0007","13.5099","0.0008","90","","100.22","0.006","90","","2169","0.2","100","0.4","100","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC8-100K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0977","0.0664","","","0.1561","0.1853","","","","","","0.999","","","","has coordinates","236578","2020-10-21","18:00:00",""
"7236856","10.9137","0.0005","15.166","0.0006","13.616","0.0005","90","","99.598","0.004","90","","2222.13","0.16","295","0.1","295","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-450K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0654","0.0362","","","0.0553","0.0622","","","","","","1.017","","","","has coordinates","236578","2020-10-21","18:00:00",""
"7236857","10.8969","0.0006","15.1389","0.0008","13.6149","0.0008","90","","99.865","0.006","90","","2212.8","0.2","295","0.1","295","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-295k","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0567","0.0378","","","0.0793","0.0905","","","","","","1.018","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7236858","10.9541","0.0003","15.1744","0.0004","13.6577","0.0004","90","","99.732","0.003","90","","2237.54","0.11","300.01","0.1","300.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-300K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br5 N2 Sb -","- C64 H80 Br20 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.0683","0.0396","","","0.0786","0.0895","","","","","","1.026","","","","has coordinates","236578","2020-10-21","18:00:00",""
"7236859","11.0102","0.0006","15.1858","0.0008","13.6416","0.0009","90","","99.313","0.006","90","","2250.8","0.2","400.01","0.1","400.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AC-8-400K","","- C16 H20 Br5 N2 Sb -","- C16 H20 Br4.999 N2 Sb -","- C64 H80 Br19.996 N8 Sb4 -","4","1","","Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua","Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation","Journal of Materials Chemistry C","2017","5","38","9967","","10.1039/C7TC02721D","","x-ray","0.71073","MoKα","","0.162","0.0887","","","0.1812","0.2256","","","","","","1.028","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7236860","14.7343","0.0014","14.7727","0.0015","15.7694","0.0015","92.545","0.003","93.186","0.002","110.15","0.002","3210","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H86 N6 O8 -","- C72 H86 N6 O8 -","- C144 H172 N12 O16 -","2","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue","5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism","Journal of Materials Chemistry C","2017","5","36","9264","","10.1039/C7TC02746J","","","0.71073","MoKα","","0.1284","0.0666","","","0.1672","0.2063","","","","","","0.982","","","","has coordinates","236581","2020-10-21","18:00:00",""
"7236861","11.3869","0.0007","25.0608","0.0016","10.4964","0.0008","90","","97.701","0.005","90","","2968.3","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C132 H148 N12 O16 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue","5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism","Journal of Materials Chemistry C","2017","5","36","9264","","10.1039/C7TC02746J","","","1.54178","CuKα","","0.0955","0.0645","","","0.1599","0.1883","","","","","","1.032","","","","has coordinates","236581","2020-10-21","18:00:00",""
"7236862","11.2361","0.0014","24.602","0.003","10.5445","0.0014","90","","98.262","0.002","90","","2884.6","0.6","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C132 H148 N12 O16 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue","5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism","Journal of Materials Chemistry C","2017","5","36","9264","","10.1039/C7TC02746J","","","0.71073","MoKα","","0.0955","0.046","","","0.0974","0.115","","","","","","0.975","","","","has coordinates","236581","2020-10-21","18:00:00",""
"7236864","11.392","0.002","14.396","0.002","11.488","0.002","90","","102.493","0.003","90","","1839.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Dy2 N10 O12 -","- C32 H36 Dy2 N10 O12 -","- C64 H72 Dy4 N20 O24 -","2","0.5","","Sun, Lin; Wei, Shilong; Zhang, Jun; Wang, Wenyuan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang; Gao, Shengli","Isomeric ligands enhance the anisotropy barrier within nine-coordinated {Dy2} compounds","Journal of Materials Chemistry C","2017","5","36","9488","","10.1039/C7TC02786A","","","0.71073","MoKα","","0.0902","0.074","","","0.1724","0.1806","","","","","","1.158","","","","has coordinates","236585","2020-10-21","18:00:00",""
"7236865","17.6569","0.0007","13.0716","0.0005","18.0859","0.0007","90","","97.96","0.004","90","","4134.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Dy2 N10 O16 -","- C32 H44 Dy2 N10 O16 -","- C128 H176 Dy8 N40 O64 -","4","0.5","","Sun, Lin; Wei, Shilong; Zhang, Jun; Wang, Wenyuan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang; Gao, Shengli","Isomeric ligands enhance the anisotropy barrier within nine-coordinated {Dy2} compounds","Journal of Materials Chemistry C","2017","5","36","9488","","10.1039/C7TC02786A","","","0.71073","MoKα","","0.0634","0.0418","","","0.1129","0.129","","","","","","0.946","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236866","10.0708","0.0019","10.0708","0.0019","12.604","0.004","90","","90","","120","","1107","0.5","173","2","173","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C8 Ca5 Li0 Na6 O24 -","- C8 Ca4.99 Na6.01 O24.97 -","- C16 Ca9.98 Na12.02 O49.94 -","2","0.166667","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0918","0.0756","","","0.239","0.2479","","","","","","1.292","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7236867","4.972","0.0009","11.068","0.003","7.1271","0.0014","90","","90","","90","","392.2","0.15","293","2","293","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- C3 Ca2 Na2 O9 -","- C3 Ca2 Na2 O9 -","- C6 Ca4 Na4 O18 -","2","0.25","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0286","0.028","","","0.0534","0.0537","","","","","","1.126","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7236868","10.0411","0.001","8.7472","0.0008","12.2267","0.0011","90","","90","","90","","1073.89","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Ca Na2 O6 -","- C2 Ca Na2 O6 -","- C16 Ca8 Na16 O48 -","8","1","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0791","0.0492","","","0.1569","0.1774","","","","","","1.108","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7236869","19.4641","0.0002","19.4641","0.0002","19.4641","0.0002","90","","90","","90","","7374","0.13","120.01","0.1","120.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C66 H72 Eu2 N18 Na O19 -","- C66 H72 Eu2 N18 Na O19 -","- C264 H288 Eu8 N72 Na4 O76 -","4","0.166667","","Han, Min-Le; Wen, Guo-Xuan; Dong, Wen-Wen; Zhou, Zhi-Hang; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Ma, Lu-Fang; Bu, Xianhui","A heterometallic sodium‒europium-cluster-based metal‒organic framework as a versatile and water-stable chemosensor for antibiotics and explosives","Journal of Materials Chemistry C","2017","5","33","8469","","10.1039/C7TC02885G","","x-ray","0.71073","MoKα","","0.0479","0.0399","","","0.0959","0.0997","","","","","","1.112","","","","has coordinates,has disorder","236590","2020-10-21","18:00:00",""
"7236870","4.0461","0.0003","9.9861","0.0007","14.8584","0.001","90","","94.697","0.003","90","","598.33","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 S6 -","- C8 H6 N2 S6 -","- C16 H12 N4 S12 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","x-ray","0.71073","MoKα","","0.0764","0.0715","","","0.1556","0.1575","","","","","","1.348","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236871","32.967","0.009","8.079","0.004","6.986","0.003","90","","90","","90","","1860.7","1.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 O2 S4 -","- C14 H18 N2 O2 S4 -","- C56 H72 N8 O8 S16 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0505","","","","0.1778","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236872","4.7328","0.0005","5.6266","0.001","10.8786","0.0016","81.629","0.013","80.329","0.012","84.727","0.013","281.86","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 N2 O2 S4 -","- C8 H6 N2 O2 S4 -","- C8 H6 N2 O2 S4 -","1","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0358","","","","0.0948","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236873","4.3845","0.0002","7.1311","0.0004","12.7965","0.0006","90.248","0.002","97.646","0.002","98.184","0.002","392.39","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C3 H3.5 N0.5 S1.5 -","- C3 H3.5 N0.5 S1.5 -","- C12 H14 N2 S6 -","4","2","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","x-ray","0.71073","MoKα","","0.0202","0.0187","","","0.0468","0.0476","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236874","23.646","0.009","7.94","0.005","7.2","0.004","90","","90","","90","","1351.8","1.2","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0439","","","","0.1049","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236875","13.8023","0.0002","8.15218","0.0001","7.03233","0.0001","90","","102.402","","90","","772.805","0.018","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S4 -","- C12 H14 N2 O2 S4 -","- C24 H28 N4 O4 S8 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","1.54187","CuKα","","","0.0488","","","","0.1284","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236876","9.639","0.005","11.745","0.005","22.285","0.008","76.86","0.05","81.81","0.03","88.16","0.04","2431.8","1.9","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C H N O S -","- C3.29032 N0.193548 O0.387097 S0.193548 -","- C102 N6 O12 S6 -","31","15.5","","Chen, Jianhua; Zhang, Xianhe; Wang, Gang; Uddin, Mohammad Afsar; Tang, Yumin; Wang, Yulun; Liao, Qiaogan; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang","Dithienylbenzodiimide: a new electron-deficient unit for n-type polymer semiconductors","Journal of Materials Chemistry C","2017","5","37","9559","","10.1039/C7TC02903A","","","0.71073","MoKα","","0.2041","0.1597","","","0.3872","0.4633","","","","","","1.262","","","","has coordinates","236594","2020-10-21","18:00:00",""
"7236877","20.81","0.005","5.7364","0.0013","14.397","0.003","90","","98.967","0.007","90","","1697.6","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Fluorophenyl)pyridine","","- C11 H8 F N -","- C11 H8 F N -","- C88 H64 F8 N8 -","8","1","","Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.","Green-yellow emitting hybrid light emitting electrochemical cell","Journal of Materials Chemistry C","2017","5","46","12062","","10.1039/C7TC02976D","","","0.71073","MoKα","","0.1734","0.0717","","","0.1351","0.166","","","","","","0.986","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236878","22.148","0.016","5.489","0.004","11.95","0.009","90","","122.238","0.018","90","","1228.8","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","6-phenyl-2,2'-bipyridine","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.","Green-yellow emitting hybrid light emitting electrochemical cell","Journal of Materials Chemistry C","2017","5","46","12062","","10.1039/C7TC02976D","","","0.71073","MoKα","","0.1455","0.058","","","0.0953","0.1189","","","","","","0.974","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236879","9.5928","0.001","13.4434","0.0013","14.3298","0.0014","109.173","0.006","103.075","0.006","94.939","0.007","1674.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 F8 Ir N4 P -","- C38 F8 Ir N4 P -","- C76 F16 Ir2 N8 P2 -","2","1","","Di Marcantonio, M.; Namanga, J. E.; Smetana, V.; Gerlitzki, N.; Vollkommer, F.; Mudring, A.-V.; Bacher, G.; Nannen, E.","Green-yellow emitting hybrid light emitting electrochemical cell","Journal of Materials Chemistry C","2017","5","46","12062","","10.1039/C7TC02976D","","","0.71073","MoKα","","0.1434","0.1244","","","0.3307","0.3447","","","","","","1.466","","","","has coordinates","236596","2020-10-21","18:00:00",""
"7236880","9.7352","0.0005","14.1265","0.0007","14.9366","0.0008","109.76","0.001","107.897","0.001","93.188","0.001","1810.23","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H0 Br0.75 Eu N4 O13 -","- C36 Br0.75 Eu N4 O13 -","- C72 Br1.5 Eu2 N8 O26 -","2","1","","Zhang, Chenghui; Sun, Libo; Yan, Yan; Shi, Huaizhong; Wang, Bolun; Liang, Zhiqiang; Li, Jiyang","A novel photo- and hydrochromic europium metal‒organic framework with good anion sensing properties","Journal of Materials Chemistry C","2017","5","35","8999","","10.1039/C7TC03013D","","","0.71073","MoKα","","0.0434","0.0402","","","0.11","0.1124","","","","","","1.069","","","","has coordinates","236598","2020-10-21","18:00:00",""
"7236881","8.6959","0.0004","9.2224","0.0001","14.9699","0.0009","75.676","0.012","85.233","0.015","67.95","0.012","1078.07","0.14","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C56 H52 N4 O2 -","2","1","","Pasha, Sheik Saleem; Yadav, Hare Ram; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman","Synthesis of an aggregation-induced emission (AIE) active salicylaldehyde based Schiff base: study of mechanoluminescence and sensitive Zn(ii) sensing","Journal of Materials Chemistry C","2017","5","37","9651","","10.1039/C7TC03046K","","","0.71075","MoKα","","0.0626","0.0487","","","0.1204","0.1323","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236882","8.652","0.001","9.2161","0.0006","14.815","0.002","75.93","0.04","85.85","0.04","68.03","0.03","1062.4","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C56 H52 N4 O2 -","2","1","","Pasha, Sheik Saleem; Yadav, Hare Ram; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman","Synthesis of an aggregation-induced emission (AIE) active salicylaldehyde based Schiff base: study of mechanoluminescence and sensitive Zn(ii) sensing","Journal of Materials Chemistry C","2017","5","37","9651","","10.1039/C7TC03046K","","","0.71075","MoKα","","0.0676","0.0528","","","0.1333","0.1519","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236883","13.339","0.004","13.342","0.004","15.359","0.005","95.814","0.003","109.924","0.007","112.425","0.009","2289.8","1.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Br0 N2 O Zn0.25 -","- C28 H26 N2 O Zn0.5 -","- C112 H104 N8 O4 Zn2 -","4","2","","Pasha, Sheik Saleem; Yadav, Hare Ram; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman","Synthesis of an aggregation-induced emission (AIE) active salicylaldehyde based Schiff base: study of mechanoluminescence and sensitive Zn(ii) sensing","Journal of Materials Chemistry C","2017","5","37","9651","","10.1039/C7TC03046K","","","0.71075","MoKα","","0.1796","0.0853","","","0.1444","0.1919","","","","","","1.054","","","","has coordinates","236599","2020-10-21","18:00:00",""
"7236884","11.876","0.003","15.659","0.003","17.043","0.005","105","0.03","110.179","0.019","104.28","0.03","2669","1.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H58 F6 Ir N8 O5 P -","- C46 H58 F6 Ir N8 O5 P -","- C92 H116 F12 Ir2 N16 O10 P2 -","2","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","1.54187","CuKα","","0.1178","0.1146","","","0.3174","0.3194","","","","","","1.183","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236885","13.3398","0.0014","14.351","0.002","15.983","0.002","80.569","0.013","67.093","0.01","74.566","0.012","2710.6","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 F12 Ir N8 O4 P -","- C42 H42 F12 Ir N8 O4 P -","- C84 H84 F24 Ir2 N16 O8 P2 -","2","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","0.71075","MoKα","","0.2916","0.1078","","","0.2237","0.3071","","","","","","1.053","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236886","28.958","0.011","13.786","0.006","30.357","0.009","90","","115.07","0.03","90","","10977","8","173","","173","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H54.5 F12 Ir N12.5 O5 P2 -","- C47 H54.5 F12 Ir N12.5 O5 P2 -","- C376 H436 F96 Ir8 N100 O40 P16 -","8","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","0.71075","MoKα","","0.1019","0.0485","","","0.0847","0.0966","","","","","","0.918","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236887","13.7823","0.0011","28.04","0.002","27.901","0.002","90","","97.757","0.002","90","","10683.8","1.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 F30 Ir2 N22 O9 P3 -","- C84 H77 F30 Ir2 N22 O9 P3 -","- C336 H308 F120 Ir8 N88 O36 P12 -","4","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","0.71075","MoKα","","0.0668","0.043","","","0.1112","0.1259","","","","","","1.144","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236891","10.8029","0.0006","13.5597","0.0007","21.3263","0.0011","96.201","0.003","90.085","0.003","113.148","0.003","2852.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H60 Cu N6 O32 V10 -","- C36 H60 Cu N6 O32 V10 -","- C72 H120 Cu2 N12 O64 V20 -","2","1","","Raizada, Mukul; Sama, Farasha; Ashafaq, Mo; Shahid, M.; Ahmad, Musheer; Siddiqi, Zafar A.","New hybrid polyoxovanadate‒Cu complex with V⋯H interactions and dual aqueous-phase sensing properties for picric acid and Pd2+: X-ray analysis, magnetic and theoretical studies, and mechanistic insights into the hybrid's sensing capabilities","Journal of Materials Chemistry C","2017","5","36","9315","","10.1039/C7TC03172F","","","0.71073","MoKα","","0.1122","0.0818","","","0.2281","0.2515","","","","","","1.029","","","","has coordinates","236606","2020-10-21","18:00:00",""
"7236892","20.126","0.004","48.515","0.008","25.912","0.005","90","","103.847","0.003","90","","24566","8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C222 H229 Ag12 Cl2 Cu2 O8 P8 -","- C222 H229 Ag12 Cl2 Cu2 O8 P8 -","- C888 H916 Ag48 Cl8 Cu8 O32 P32 -","4","1","","Zhang, Xu; Wang, Jin-Yun; Qiao, Di; Chen, Zhong-Ning","Phosphorescent mechanochromism through the contraction of Ag12Cu2 clusters in tetradecanuclear copper‒silver acetylide complexes","Journal of Materials Chemistry C","2017","5","34","8782","","10.1039/C7TC03205F","","","0.71073","MoKα","","0.0849","0.0676","","","0.2","0.2164","","","","","","1.125","","","","has coordinates,has disorder","236608","2020-10-21","18:00:00",""
"7236893","15.856","0.004","28.435","0.007","10.3986","0.0019","90","","90","","90","","4688.4","1.9","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","1,1,2,2-tetrakis(4-((trimethylsilyl)ethynyl)phenyl)ethene","","- C46 H52 Si4 -","- C46 H52 Si4 -","- C184 H208 Si16 -","4","0.5","","Ramachandran, Elumalai; Dhamodharan, Raghavachari","Tetrakis(trialkylsilylethynylphenyl)ethenes: mechanofluorochromism arising from steric considerations with an unusual crystal structure","J. Mater. Chem. C","2017","5","40","10469","","10.1039/C7TC03211K","","","0.71073","MoKα","","0.1168","0.0493","","","0.0939","0.1161","","","","","","0.99","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236894","8.7244","0.0005","10.4918","0.0006","10.8211","0.0006","115.322","0.002","98.499","0.003","109.477","0.003","793.58","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","1","0.5","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","x-ray","0.71073","MoKα","","0.0862","0.0554","","","0.1243","0.1413","","","","","","1.119","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236895","8.777","0.0009","10.7908","0.001","10.9916","0.0017","106.485","0.007","108.711","0.007","109.714","0.005","833.7","0.2","240","1","240","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 B Fe0.5 N6 -","- C15 H22 B Fe0.5 N6 -","- C30 H44 B2 Fe N12 -","2","1","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","","0.71073","MoKα","","0.114","0.0636","","","0.1429","0.1656","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236896","8.8124","0.0003","10.1928","0.0003","10.7673","0.0004","116.338","0.001","85.244","0.002","100.143","0.002","853.2","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","- C30 H44 B2 Fe N12 -","1","0.5","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","","0.71073","MoKα","","0.0879","0.0487","","","0.127","0.1519","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236897","20.669","0.005","20.669","0.005","8.603","0.003","90","","90","","90","","3675.3","1.8","253","2","253","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C60 H88 B4 Fe2 N24 O0 -","- C60 H88 B4 Fe2 N24 -","- C120 H176 B8 Fe4 N48 -","2","0.25","","Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T.","The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules","Journal of Materials Chemistry C","2017","5","42","11067","","10.1039/C7TC03276E","","","0.71073","MoKα","","0.3011","0.1233","","","0.2503","0.3314","","","","","","1.035","","","","has coordinates","236612","2020-10-21","18:00:00",""
"7236898","10.0305","0.0005","10.504","0.0007","12.3508","0.0006","90","","102.582","0.003","90","","1270.03","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0668","0.0426","","0.0554","0.0525","0.0525","","","","","","1.0729","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236899","6.2359","0.0006","10.5265","0.0007","17.6917","0.0009","90","","94.553","0.004","90","","1157.66","0.15","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0812","0.0518","","0.0641","0.0585","0.0585","","","","","","1.0248","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236900","6.3011","0.0002","10.4759","0.0005","17.1953","0.0007","90","","98.045","0.002","90","","1123.89","0.08","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0963","0.0526","","0.1944","0.0607","0.0607","","","","","","1.0906","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236901","6.6883","0.0002","10.3043","0.0004","18.2359","0.0005","90","","93.231","0.002","90","","1254.79","0.07","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-{4-[4-(1-oxyl-3-oxo-4,4,5,5-tetramethyl-4H,5H-imidazolin-2-yl) -phenyl]buta-1,3-diyn-1-yl}phenyl)-4,4,5,5-tetramethyl-imidazoline-1-oxyl","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0691","0.0401","","0.0553","0.0461","0.0461","","","","","","1.1123","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236902","7.3674","0.0002","13.0178","0.0004","13.7189","0.0004","90.9445","0.0014","104.498","0.0016","104.209","0.0016","1230.61","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","2","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0644","0.0524","","0.0627","0.0618","0.0618","","","","","","0.9857","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236903","7.042","0.0003","12.9582","0.0009","14.2234","0.0009","94.407","0.003","103.761","0.003","102.863","0.003","1217.42","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","2","","Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals","Journal of Materials Chemistry C","2017","5","35","9053","","10.1039/C7TC03357E","","","0.71073","MoKα","","0.0619","0.0621","","0.0549","0.055","0.055","","","","","","0.9779","","","","has coordinates","236616","2020-10-21","18:00:00",""
"7236904","44.497","0.004","44.497","0.004","44.497","0.004","90","","90","","90","","88103","14","100","2","100","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C120 H181.5 Cl12 N48 O78.75 P8 S8 Zn6 -","- C120 H120 Cl12 N48 O78.75 P8 S8 Zn6 -","- C1920 H1920 Cl192 N768 O1260 P128 S128 Zn96 -","16","0.333333","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.1231","0.0887","","","0.2427","0.287","","","","","","1.011","","","","has coordinates,has disorder","236619","2020-10-21","18:00:00",""
"7236905","21.0961","0.0009","21.0961","0.0009","24.0305","0.0013","90","","90","","90","","10694.7","0.9","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C120 H196 N60 O74 P8 S8 Zn6 -","- C120 H120 N60 O74 P8 S8 Zn6 -","- C240 H240 N120 O148 P16 S16 Zn12 -","2","0.25","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.0917","0.0773","","","0.216","0.2369","","","","","","1.051","","","","has coordinates,has disorder","236621","2020-10-21","18:00:00",""
"7236910","8.9365","0.0014","9.6625","0.0015","11.8541","0.0018","85.097","0.003","84.907","0.003","63.265","0.003","909.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 N6 O P S -","- C16 H19 N6 O P S -","- C32 H38 N12 O2 P2 S2 -","2","1","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal–organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.0359","0.031","","","0.0798","0.0832","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236914","10.5762","0.0004","13.3993","0.0004","21.7435","0.0006","97.986","0.003","100.725","0.003","112.276","0.003","2726.21","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H46 Cl2 N8 -","- C63 H46 Cl2 N8 -","- C126 H92 Cl4 N16 -","2","1","","Huang, Qiuyi; Yu, Tao; Xie, Zongliang; Li, Wenlang; Wang, Leyu; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.","Hydrogen bonding-assisted loosely packed crystals of a diaminomaleonitrile-modified tetraphenylethene compound and their photo- and mechano-responsive properties","Journal of Materials Chemistry C","2017","5","45","11867","","10.1039/C7TC03404K","","","1.54178","CuKα","","0.0951","0.0827","","","0.2474","0.2682","","","","","","1.0505","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236915","8.1726","0.0007","12.0345","0.0012","14.2401","0.0012","110.964","0.003","103.662","0.003","98.181","0.003","1230.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","2","","Yan, Han; Meng, Xinlei; Li, Baoyan; Ge, Shusheng; Lu, Yun","Design, synthesis, photophysical properties and pH-sensing application of pyrimidine-phthalimide derivatives","J. Mater. Chem. C","2017","5","40","10589","","10.1039/C7TC03472E","","","0.71073","MoKα","","0.1254","0.0602","","","0.1005","0.1184","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236916","15.7201","0.0016","8.3942","0.0006","26.601","0.002","90","","99.639","0.003","90","","3460.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N5 O4 -","- C40 H45 N5 O4 -","- C160 H180 N20 O16 -","4","1","","Yan, Han; Meng, Xinlei; Li, Baoyan; Ge, Shusheng; Lu, Yun","Design, synthesis, photophysical properties and pH-sensing application of pyrimidine-phthalimide derivatives","J. Mater. Chem. C","2017","5","40","10589","","10.1039/C7TC03472E","","","0.71073","MoKα","","0.1269","0.0634","","","0.1319","0.1568","","","","","","1.055","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236917","11.2121","0.0016","13.2318","0.0018","16.716","0.002","69.32","0.004","82.894","0.005","71.47","0.004","2199.7","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H44 S4 -","- C54 H44 S4 -","- C108 H88 S8 -","2","1","","Wang, Hui; Wang, Dong-En; Guan, Jianping; Han, Xiang; Xue, Pengchong; Liu, Wenming; Yuan, Mao-Sen; Wang, Jinyi","Mercaptomethylphenyl-modified tetraphenylethene as a multifunctional luminophor: stimuli-responsive luminescence color switching and AIE-active chemdosimeter for sulfur mustard simulants","Journal of Materials Chemistry C","2017","5","44","11565","","10.1039/C7TC03524A","","","0.71073","MoKα","","0.185","0.0857","","","0.2246","0.2957","","","","","","0.975","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236918","4.51809","0.00036","5.4084","0.00038","14.86056","0.00086","84.8666","0.0051","86.2921","0.0051","88.2557","0.0051","360.8","0.04","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C7 H5 Au O2 S -","- C7 H4 Au O2 S -","- C14 H8 Au2 O4 S2 -","2","2","","Veselska, Oleksandra; Okhrimenko, Larysa; Guillou, Nathalie; Podbevšek, Darjan; Ledoux, Gilles; Dujardin, Christophe; Monge, Miguel; Chevrier, Daniel M.; Yang, Rui; Zhang, Peng; Fateeva, Alexandra; Demessence, Aude","An intrinsic dual-emitting gold thiolate coordination polymer, [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing","J. Mater. Chem. C","2017","5","38","9843","","10.1039/C7TC03605A","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.031","5.21","","","","","","","has coordinates","236633","2020-10-21","18:00:00",""
"7236919","16.315","0.005","12.408","0.004","7.38","0.002","90","","94.84","0.005","90","","1488.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","1","","Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen","Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?","Journal of Materials Chemistry C","2017","5","36","9242","","10.1039/C7TC03656F","","","0.71073","MoKα","","0.0661","0.0471","","","0.1245","0.1395","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236920","10.3472","0.001","12.6805","0.0012","12.7346","0.0012","91.281","0.001","109.39","0.001","111.059","0.001","1451.7","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","2","","Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen","Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?","Journal of Materials Chemistry C","2017","5","36","9242","","10.1039/C7TC03656F","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","287153","2023-10-27","23:41:40",""
"7236921","12.3262","0.0017","12.5229","0.0018","9.8675","0.0014","90","","107.314","0.002","90","","1454.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 O S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","1","","Yang, Jie; Ren, Zichun; Chen, Bin; Fang, Manman; Zhao, Zujin; Tang, Ben Zhong; Peng, Qian; Li, Zhen","Three polymorphs of one luminogen: how the molecular packing affects the RTP and AIE properties?","Journal of Materials Chemistry C","2017","5","36","9242","","10.1039/C7TC03656F","","","0.71073","MoKα","","0.0521","0.0398","","","0.1021","0.11","","","","","","1.103","","","","has coordinates","236635","2020-10-21","18:00:00",""
"7236924","13.6826","0.0004","22.593","0.0007","9.0276","0.0003","90","","90","","90","","2790.71","0.15","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C48 H112 I24 N8 Pb8 -","8","1","","Wu, Zhenyue; Ji, Chengmin; Wang, Sasa; Zhang, Weichuan; Wang, Yuyin; Li, Lina; Zhao, Sangen; Sun, Zhihua; Luo, Junhua","(2-Methylpiperidine)PbI3: an ABX3-type organic‒inorganic hybrid chain compound and its semiconducting nanowires with photoconductive properties","Journal of Materials Chemistry C","2017","5","44","11466","","10.1039/C7TC03844E","","","0.71073","MoKα","","0.0343","0.0255","","","0.0437","0.0466","","","","","","1.051","","","","has coordinates","236639","2020-10-21","18:00:00",""
"7236928","11.742","0.005","12.27","0.005","13.311","0.005","67.566","0.01","84.865","0.011","77.303","0.012","1729.3","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 N O4 -","- C44 H43 N O4 -","- C88 H86 N2 O8 -","2","1","","Hu, Jinyang; Liu, Rui; Zhai, Shengliang; Wu, Yanan; Zhang, Haozhe; Cheng, Hanting; Zhu, Hongjun","AIE-active molecule-based self-assembled nano-fibrous films for sensitive detection of volatile organic amines","Journal of Materials Chemistry C","2017","5","45","11781","","10.1039/C7TC03857G","","","0.71073","MoKα","","0.3528","0.2481","","","0.4416","0.4987","","","","","","1.152","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7236929","8.73","0.0007","10.4348","0.0008","13.1284","0.0013","99.414","0.003","97.111","0.003","97.02","0.002","1158.3","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 Br O2 -","- C28 H29 Br O2 -","- C56 H58 Br2 O4 -","2","1","","Hu, Jinyang; Liu, Rui; Zhai, Shengliang; Wu, Yanan; Zhang, Haozhe; Cheng, Hanting; Zhu, Hongjun","AIE-active molecule-based self-assembled nano-fibrous films for sensitive detection of volatile organic amines","Journal of Materials Chemistry C","2017","5","45","11781","","10.1039/C7TC03857G","","","0.71073","MoKα","","0.0574","0.0461","","","0.1143","0.1198","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236930","11.417","0.003","14.259","0.004","14.489","0.004","100.327","0.004","110.851","0.004","112.865","0.004","1887.9","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H53 N O2 -","- C48 H53 N O2 -","- C96 H106 N2 O4 -","2","1","","Hu, Jinyang; Liu, Rui; Zhai, Shengliang; Wu, Yanan; Zhang, Haozhe; Cheng, Hanting; Zhu, Hongjun","AIE-active molecule-based self-assembled nano-fibrous films for sensitive detection of volatile organic amines","Journal of Materials Chemistry C","2017","5","45","11781","","10.1039/C7TC03857G","","","0.71073","MoKα","","0.0712","0.0541","","","0.1435","0.1611","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236934","10.4155","0.0005","17.9067","0.0008","14.6999","0.0007","90","","109.685","0.001","90","","2581.4","0.2","186","2","186","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pthpy)2Iracac","","- C31 H23 Ir N2 O2 S2 -","- C31 H23 Ir N2 O2 S2 -","- C124 H92 Ir4 N8 O8 S8 -","4","1","","Yan, Zhimin; Wang, Yanping; Wang, Jiaxiu; Wang, Yue; Ding, Junqiao; Wang, Lixiang","A novel furo[3,2-c]pyridine-based iridium complex for high-performance organic light-emitting diodes with over 30% external quantum efficiency","J. Mater. Chem. C","2017","5","39","10122","","10.1039/C7TC03937A","","","0.71073","MoKα","","0.0271","0.0234","","","0.0561","0.0578","","","","","","1.07","","","","has coordinates","236651","2020-10-21","18:00:00",""
"7236935","15.8143","0.001","17.4936","0.0011","10.0825","0.0006","90","","99.19","0.001","90","","2753.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pfupy)2Iracac","","- C32 H25 Cl2 Ir N2 O4 -","- C32 H25 Cl2 Ir N2 O4 -","- C128 H100 Cl8 Ir4 N8 O16 -","4","1","","Yan, Zhimin; Wang, Yanping; Wang, Jiaxiu; Wang, Yue; Ding, Junqiao; Wang, Lixiang","A novel furo[3,2-c]pyridine-based iridium complex for high-performance organic light-emitting diodes with over 30% external quantum efficiency","J. Mater. Chem. C","2017","5","39","10122","","10.1039/C7TC03937A","","","0.71073","MoKα","","0.0422","0.0356","","","0.1001","0.1056","","","","","","1.048","","","","has coordinates","236651","2020-10-21","18:00:00",""
"7236938","46.21","0.02","6.9886","0.001","24.593","0.013","90","","144.02","0.11","90","","4666","13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-(4-(diphenylamino)phenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl)benzonitrile","","- C30 H19 N5 S -","- C30 H19 N5 S -","- C240 H152 N40 S8 -","8","1","","Jiang, Jianxia; Li, Xianglong; Hanif, Muddasir; Zhou, Jiadong; Hu, Dehua; Su, Shijian; Xie, Zengqi; Gao, Yu; Yang, Bing; Ma, Yuguang","Pyridal[2,1,3]thiadiazole as strong electron-withdrawing and less sterically-hindered acceptor for highly efficient donor–acceptor type NIR materials","Journal of Materials Chemistry C","2017","5","42","11053","","10.1039/C7TC03978F","","","1.54184","CuKα","","0.1467","0.0686","","","0.1527","0.2366","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236939","21.127","0.006","6.0937","0.0016","7.625","0.002","90","","92.28","0.004","90","","980.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Holmium salicylate succinate coordination network","","- C18 H16 Ho2 O12 -","- C18 H16 Ho2 O12 -","- C36 H32 Ho4 O24 -","2","0.5","","Godoy, Agustín A.; Gomez, Germán E.; Kaczmarek, Anna M.; Van Deun, Rik; Furlong, Octavio J.; Gándara, Felipe; Monge, María A.; Bernini, María C.; Narda, Griselda E.","Sensing properties, energy transfer mechanism and tuneable particle size processing of luminescent two-dimensional rare earth coordination networks","Journal of Materials Chemistry C","2017","5","47","12409","","10.1039/C7TC04006G","","","0.71073","MoKα","","0.1573","0.0947","","","0.2031","0.2452","","","","","","1.109","","","","has coordinates","236655","2020-10-21","18:00:00",""
"7236940","7.91","0.003","7.962","0.002","18.319","0.006","91.688","0.006","98.632","0.006","95.182","0.005","1134.9","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N O3 S -","- C31 H19 N O3 S -","- C62 H38 N2 O6 S2 -","2","1","","Wei, Xiaofang; Chen, Yongzhen; Duan, Ruihong; Liu, Jianjun; Wang, Ruifang; Liu, Yanwei; Li, Zhiyi; Yi, Yuanping; Yamada-Takamura, Yukiko; Wang, Pengfei; Wang, Ying","Triplet decay-induced negative temperature dependence of the transient photoluminescence decay of thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2017","5","46","12077","","10.1039/C7TC04025C","","","0.71073","MoKα","","0.0914","0.0731","","","0.1251","0.1347","","","","","","1.2","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236941","8.7548","0.0019","18.82","0.004","14.236","0.003","90","","104.606","0.003","90","","2269.8","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N O3 S -","- C31 H19 N O3 S -","- C124 H76 N4 O12 S4 -","4","1","","Wei, Xiaofang; Chen, Yongzhen; Duan, Ruihong; Liu, Jianjun; Wang, Ruifang; Liu, Yanwei; Li, Zhiyi; Yi, Yuanping; Yamada-Takamura, Yukiko; Wang, Pengfei; Wang, Ying","Triplet decay-induced negative temperature dependence of the transient photoluminescence decay of thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2017","5","46","12077","","10.1039/C7TC04025C","","","0.71073","MoKα","","0.0505","0.0476","","","0.1154","0.1172","","","","","","1.141","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236942","19.873","0.0014","12.805","0.0008","28.261","0.002","90","","103.88","0.003","90","","6981.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Ir2 N6 O5 -","- C72 H62 Ir2 N6 O2 -","- C288 H248 Ir8 N24 O8 -","4","1","","Jiang, Yang; Li, Guangfu; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","An AIE-active phosphorescent Ir(iii) complex with piezochromic luminescence (PCL) and its application for monitoring volatile organic compounds (VOCs)","Journal of Materials Chemistry C","2017","5","46","12189","","10.1039/C7TC04066K","","x-ray","0.71069","MoKα","","0.0972","0.0518","","","0.1288","0.1575","","","","","","1.085","","","","has coordinates,has disorder","236657","2020-10-21","18:00:00",""
"7236943","10.901","0.0004","12.5104","0.0004","12.7308","0.0004","86.193","0.002","69.763","0.003","89.82","0.003","1625.04","0.1","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","CPBPMCN","","- C46 H28 N4 -","- C46 H28 N4 -","- C92 H56 N8 -","2","1","","Tan, Yu; Zhao, Zifeng; Shang, Liang; Liu, Yang; Wei, Chen; Li, Jiayi; Wei, Huibo; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A novel bipolar D–π–A type phenanthroimidazole/carbazole hybrid material for high efficiency nondoped deep-blue organic light-emitting diodes with NTSC CIEy and low efficiency roll-off","Journal of Materials Chemistry C","2017","5","45","11901","","10.1039/C7TC04089J","","x-ray","0.71073","MoKα","","0.0493","0.0386","","","0.0947","0.1","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236947","8.94","0.007","16.574","0.014","12.013","0.01","90","","90","","90","","1780","3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","1","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.0602","0.0455","","","0.0656","0.0707","","","","","","0.96","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7236948","9.14","0.006","16.708","0.011","12.008","0.008","90","","93.347","0.012","90","","1831","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","1","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.0943","0.0786","","","0.2226","0.2405","","","","","","1.009","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7236949","9.16","0.011","16.94","0.02","12.125","0.014","90","","90","","90","","1881","4","348","2","348","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","0.5","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.2877","0.2805","","","0.5163","0.5218","","","","","","1.02","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7236954","9.0807","0.0007","12.8892","0.001","15.1975","0.0011","67.58","0.002","83.551","0.002","88.048","0.002","1633.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","ClPPM","","- C81 H52 Cl4 N8 O4 -","- C81 H52 Cl4 N8 O4 -","- C81 H52 Cl4 N8 O4 -","1","0.5","","Xiang, Yepeng; Zhao, Yongbiao; Xu, Nan; Gong, Shaolong; Ni, Fan; Wu, Kailong; Luo, Jiajia; Xie, Guohua; Lu, Zheng-Hong; Yang, Chuluo","Halogen-induced internal heavy-atom effect shortening the emissive lifetime and improving the fluorescence efficiency of thermally activated delayed fluorescence emitters","Journal of Materials Chemistry C","2017","5","46","12204","","10.1039/C7TC04181K","","","0.71073","MoKα","","0.0964","0.0756","","","0.2298","0.2584","","","","","","0.978","","","","has coordinates,has disorder","236663","2020-10-21","18:00:00",""
"7236955","11.931","0.004","10.515","0.003","12.71","0.005","90","","117.644","0.004","90","","1412.5","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F N O3 -","- C17 H16 F N O3 -","- C68 H64 F4 N4 O12 -","4","1","","Li, Jinbiao; Wu, Yishi; Xu, Zhenzhen; Liao, Qing; Zhang, Haihua; Zhang, Yi; Xiao, Lu; Yao, Jiannian; Fu, Hongbing","Tuning the organic microcrystal laser wavelength of ESIPT-active compounds via controlling the excited enol* and keto* emissions","Journal of Materials Chemistry C","2017","5","46","12235","","10.1039/C7TC04207H","","","0.71073","MoKα","","0.0568","0.0528","","","0.1207","0.1233","","","","","","1.176","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236956","12.394","0.003","10.203","0.003","12.264","0.003","90","","115.798","0.002","90","","1396.3","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C68 H64 F4 N4 O8 -","4","1","","Li, Jinbiao; Wu, Yishi; Xu, Zhenzhen; Liao, Qing; Zhang, Haihua; Zhang, Yi; Xiao, Lu; Yao, Jiannian; Fu, Hongbing","Tuning the organic microcrystal laser wavelength of ESIPT-active compounds via controlling the excited enol* and keto* emissions","Journal of Materials Chemistry C","2017","5","46","12235","","10.1039/C7TC04207H","","","0.71073","MoKα","","0.0463","0.0443","","","0.1053","0.1065","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236957","15.6931","0.0004","10.3418","0.0003","15.164","0.0004","90","","90","","90","","2461.04","0.12","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H20 Cd N4 O11 -","- C24 H16 Cd N4 O10.9999 -","- C96 H64 Cd4 N16 O43.9996 -","4","1","","Sui, Qi; Yuan, Ye; Yang, Ning-Ning; Li, Xin; Gong, Teng; Gao, En-Qing; Wang, Lin","Coordination-modulated piezochromism in metal‒viologen materials","Journal of Materials Chemistry C","2017","5","47","12400","","10.1039/C7TC04208F","","","1.54178","CuKα","","0.0375","0.0362","","","0.1048","0.1057","","","","","","1.094","","","","has coordinates","236667","2020-10-21","18:00:00",""
"7236958","14.3281","0.0009","19.2115","0.0012","10.7242","0.0007","90","","111.511","0.0008","90","","2746.4","0.3","186","2","186","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-MeOpfupy)2Ir(acac)","","- C33 H27 Ir N2 O6 -","- C33 H27 Ir N2 O6 -","- C132 H108 Ir4 N8 O24 -","4","0.5","","Yan, Zhimin; Wang, Yanping; Ding, Junqiao; Wang, Yue; Wang, Lixiang","Methoxyl modification in furo[3,2-c]pyridine-based iridium complexes towards highly efficient green- and orange-emitting electrophosphorescent devices","Journal of Materials Chemistry C","2017","5","46","12221","","10.1039/C7TC04269H","","","0.71073","MoKα","","0.0231","0.0208","","","0.0495","0.0506","","","","","","1.041","","","","has coordinates","236669","2020-10-21","18:00:00",""
"7236959","16.6206","0.0018","17.1087","0.0018","18.788","0.002","90","","90","","90","","5342.5","1","110","2","110","2","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C272 H288 O16 -","8","0.5","","Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang","Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching","Journal of Materials Chemistry C","2017","5","48","12785","","10.1039/C7TC04384H","","","0.71073","MoKα","","0.0597","0.0392","","","0.0841","0.0925","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236960","13.6584","0.0013","5.7107","0.0006","36.606","0.004","90","","100.414","0.002","90","","2808.2","0.5","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C136 H144 O8 -","4","1","","Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang","Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching","Journal of Materials Chemistry C","2017","5","48","12785","","10.1039/C7TC04384H","","","0.71073","MoKα","","0.0841","0.0551","","","0.1383","0.1596","","","","","","1.025","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236961","18.8041","0.0006","12.7049","0.0004","19.0559","0.0007","90","","112.425","0.001","90","","4208.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2,7-Bis(1,2,2-triphenylvinyl)-fluoren-9-ylidene)malononitrile","","- C56 H36 N2 -","- C56 H36 N2 -","- C224 H144 N8 -","4","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0972","0.0869","","","0.2301","0.2408","","","","","","1.056","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236962","22.5855","0.0014","15.8549","0.001","11.8676","0.0007","90","","92.183","0.002","90","","4246.6","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,6-bis(1,2,2-triphenylvinyl)anthracene-9,10-dione","","- C58 H44 O3 -","- C58 H44 O3 -","- C232 H176 O12 -","4","0.5","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0507","0.0466","","","0.1281","0.1314","","","","","","1.049","","","","has coordinates,has disorder","236673","2020-10-21","18:00:00",""
"7236963","14.0044","0.0003","12.8632","0.0003","22.7228","0.0005","90","","92.288","0.001","90","","4090.05","0.16","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(bis(4-(1,2,2-triphenylvinyl)phenyl)methylene)malononitrile","","- C56 H38 N2 -","- C56 H38 N2 -","- C224 H152 N8 -","4","0.5","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0388","0.0359","","","0.0913","0.0935","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236964","10.7918","0.0004","10.8195","0.0004","17.2771","0.0006","76.359","0.001","81.029","0.001","74.809","0.001","1882.35","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","bis(4-(1,2,2-triphenylvinyl)phenyl)methanone","","- C53 H38 O -","- C53 H38 O -","- C106 H76 O2 -","2","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.0541","0.05","","","0.127","0.1304","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236965","7.9503","0.0004","16.0571","0.0006","17.4515","0.0007","80.314","0.002","88.214","0.002","84.116","0.002","2184.29","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2'-(2,6-bis(1,2,2-triphenylvinyl)anthracene-9,10-diylidene)dimalononitrile","","- C60 H36 N4 -","- C60 H36 N4 -","- C120 H72 N8 -","2","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","0.71073","MoKα","","0.0836","0.0528","","","0.127","0.1424","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236966","12.1439","0.0005","9.0734","0.0003","37.6521","0.0014","90","","90.014","0.002","90","","4148.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-bis(1,2,2-triphenylvinyl)-fluoren-9-one","","- C56 H45 O2.75 -","- C56 H45 O2.75 -","- C224 H180 O11 -","4","1","","Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei","Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection","Journal of Materials Chemistry C","2017","5","46","12194","","10.1039/C7TC04400C","","","1.54178","CuKα","","0.05","0.0448","","","0.1165","0.1208","","","","","","1.027","","","","has coordinates,has disorder","236673","2020-10-21","18:00:00",""
"7236967","16.073","0.004","8.073","0.003","16.193","0.004","90","","117.877","0.007","90","","1857.3","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 N O2 -","- C26 H15 N O2 -","- C104 H60 N4 O8 -","4","1","","Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei","Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process","Journal of Materials Chemistry C","2017","5","46","12031","","10.1039/C7TC04444E","","","0.71073","MoKα","","0.1285","0.0719","","","0.1705","0.1996","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236968","13.7811","0.0008","3.8536","0.0002","35.911","0.002","90","","94.057","0.002","90","","1902.34","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 N O2 -","- C26 H15 N O2 -","- C104 H60 N4 O8 -","4","1","","Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei","Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process","Journal of Materials Chemistry C","2017","5","46","12031","","10.1039/C7TC04444E","","","0.71073","MoKα","","0.082","0.0685","","","0.2107","0.2159","","","","","","1.599","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236972","8.273","0.0005","25.4125","0.0018","28.576","0.002","90","","90","","90","","6007.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Binol-CHO","","- C76 H2.5 O8 -","- C76 H58 O8 -","- C304 H232 O32 -","4","1","","Venkatakrishnarao, Dasari; Sahoo, Chakradhar; Mamonov, Evgeniy A.; Novikov, Vladimir B.; Mitetelo, Nikolai V.; Naraharisetty, Sri Ram G.; Murzina, Tatiana V.; Chandrasekar, Rajadurai","Chiral organic photonics: self-assembled micro-resonators for an enhanced circular dichroism effect in the non-linear optical signal","Journal of Materials Chemistry C","2017","5","47","12349","","10.1039/C7TC04621A","","","0.71073","MoKα","","0.1661","0.0787","","","0.2015","0.2454","","","","","","1.014","","","","has coordinates","236679","2020-10-21","18:00:00",""
"7236973","11.5066","0.0015","10.2017","0.0013","12.3497","0.0016","90","","95.332","0.004","90","","1443.4","0.3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C76 H48 Br4 N4 O4 -","4","1","","Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Manipulating organic triplet harvesting in regioisomeric microcrystals","Journal of Materials Chemistry C","2017","5","47","12547","","10.1039/C7TC04634K","","","0.71073","MoKα","","0.023","0.0205","","","0.0565","0.057","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236974","8.2389","0.0016","9.5522","0.0018","18.47","0.003","90","","91.861","0.005","90","","1452.8","0.5","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C76 H48 Br4 N4 O4 -","4","1","","Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Manipulating organic triplet harvesting in regioisomeric microcrystals","Journal of Materials Chemistry C","2017","5","47","12547","","10.1039/C7TC04634K","","","0.71073","MoKα","","0.0384","0.03","","","0.0734","0.0742","","","","","","0.933","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236975","21.5976","0.0018","7.7186","0.0004","18.3872","0.0016","90","","110.435","0.01","90","","2872.3","0.4","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C152 H96 Br8 N8 O8 -","8","1","","Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Manipulating organic triplet harvesting in regioisomeric microcrystals","Journal of Materials Chemistry C","2017","5","47","12547","","10.1039/C7TC04634K","","","0.71073","MoKα","","0.0843","0.0535","","","0.131","0.1498","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236979","12.739","0.003","14.079","0.003","17.519","0.004","104.99","0.004","103.277","0.004","91.369","0.005","2942.4","1.2","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H39 N2 O4 -","- C34 H39 N2 O4 -","- C136 H156 N8 O16 -","4","2","","Akita, Takuya; Kiyohara, Daichi; Yamazaki, Taira; Uchida, Yoshiaki; Nishiyama, Norikazu","Large negative magneto-LC effects induced by racemic dimerization of liquid crystalline nitroxide radicals with a terminal cyano group","Journal of Materials Chemistry C","2017","5","47","12457","","10.1039/C7TC04699E","","","0.71075","MoKα","","0.1026","0.0526","","","0.1031","0.1192","","","","","","1.012","","","","has coordinates","236687","2020-10-21","18:00:00",""
"7236982","11.151","0.002","13.828","0.003","13.934","0.003","90","","112.2","0.03","90","","1989.3","0.8","153","2","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B F2 N O3 -","- C24 H20 B F2 N O3 -","- C96 H80 B4 F8 N4 O12 -","4","1","","Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng","Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state","Journal of Materials Chemistry C","2017","5","47","12538","","10.1039/C7TC04751G","","","0.71073","MoKα","","0.1116","0.0962","","","0.1763","0.1853","","","","","","1.238","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236983","21.231","0.004","9.2009","0.0018","16.416","0.003","90","","105.76","0.03","90","","3086.2","1.1","153","2","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N O2 -","- C18 H16 B F2 N O2 -","- C144 H128 B8 F16 N8 O16 -","8","1","","Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng","Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state","Journal of Materials Chemistry C","2017","5","47","12538","","10.1039/C7TC04751G","","","0.71073","MoKα","","0.1001","0.0839","","","0.1489","0.1722","","","","","","1.261","","","","has coordinates","236691","2020-10-21","18:00:00",""
"7236984","23.179","0.003","23.179","0.003","7.6814","0.0015","90","","90","","90","","4127","1.1","153","2","153.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H19 B2 F4 N O4 -","- C22 H19 B2 F4 N O4 -","- C176 H152 B16 F32 N8 O32 -","8","1","","Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng","Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state","Journal of Materials Chemistry C","2017","5","47","12538","","10.1039/C7TC04751G","","","0.71073","MoKα","","0.0955","0.091","","","0.1412","0.1425","","","","","","1.392","","","","has coordinates","236691","2020-10-21","18:00:00",""
"7236997","11.6942","0.0004","7.069","0.0002","13.1573","0.0005","90","","101.21","0.001","90","","1066.91","0.06","290","1","290","1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Choi, Jae-Young; Lee, Seung-Jun; Lee, Seung-Chul; Jeong, Chan-Uk; Jazbinsek, Mojca; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Kwon, O-Pil","Quinolinium single crystals with a high optical nonlinearity and unusual out-of-plane polar axis","Journal of Materials Chemistry C","2017","5","47","12602","","10.1039/C7TC04835A","","","0.7107","MoKα","","0.0376","0.0322","","","0.0836","0.0894","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:32",""
"8000197","16.191","0.007","17.244","0.007","18.613","0.007","105.871","0.012","106.252","0.013","90.74","0.02","4776","3","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H162 Ag6.66 Au18.34 S18 -","- C144 H162 Ag6.658 Au18.342 S18 -","- C144 H162 Ag6.658 Au18.342 S18 -","1","0.5","","Kumara, Chanaka; Aikens, Christine M.; Dass, Amala","X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy","The Journal of Physical Chemistry Letters","2014","5","3","461","","10.1021/jz402441d","","x-ray","0.71073","MoKα","K-L~3~","0.072","0.0411","","","0.0934","0.1065","","","","","","0.964","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000198","8.761","0.002","16.167","0.005","9.689","0.003","90","","108.314","0.004","90","","1302.8","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12.8 N4 O1.4 -","- C14 H12.8 N4 O1.4 -","- C56 H51.2 N16 O5.6 -","4","1","","Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei","Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond","The Journal of Physical Chemistry Letters","2014","5","1","92","","10.1021/jz402280w","","","0.71073","MoKα","","0.0658","0.0497","","","0.1234","0.133","","","","","","1.042","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000199","7.5326","0.0011","9.6002","0.0013","10.1649","0.0014","99.619","0.002","109.189","0.002","109.599","0.002","621.42","0.15","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C28 H24 N8 O2 -","2","1","","Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei","Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N–H···N Hydrogen Bond","The Journal of Physical Chemistry Letters","2014","5","1","92","","10.1021/jz402280w","","","0.71073","MoKα","","0.0671","0.0505","","","0.1176","0.1298","","","","","","1.047","","","","has coordinates","301880","2025-08-22","23:45:40",""
"8000200","4.4782","0.0004","11.8813","0.001","21.849","0.003","90","","90","","90","","1162.5","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H3 F7 O2 -","- C14 H3 F7 O2 -","- C56 H12 F28 O8 -","4","1","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71075","MoKα","","0.1131","0.0641","","","0.1146","0.1352","","","","","","1.039","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000201","26.1476","0.0011","14.1409","0.0006","14.6773","0.0006","90","","90","","90","","5426.9","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 Cs Er F52 O8 -","- C44 Cs Er F52 O8 -","- C176 Cs4 Er4 F208 O32 -","4","0.5","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.0346","0.0215","","","0.0415","0.0456","","","","","","1.019","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000202","26.905","0.0015","8.464","0.0004","24.2743","0.0013","90","","107.21","0.001","90","","5280.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","C52 O8 F28 Er Cs","","","- C58 H14 Cs Er F28 O8 -","- C58 H14 Cs Er F28 O8 -","- C232 H56 Cs4 Er4 F112 O32 -","4","0.5","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.091","0.042","","","0.0714","0.0853","","","","","","0.965","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000203","13.2677","0.0013","14.96","0.0015","15.5993","0.0016","99.293","0.002","101.038","0.002","115.265","0.002","2643.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 Cs Er F28 O12 -","- C56 Cs Er F28 O12 -","- C112 Cs2 Er2 F56 O24 -","2","1","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.1356","0.0891","","","0.2122","0.2717","","","","","","1.066","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000206","5.8691","0.0006","14.2212","0.0015","14.2606","0.0014","113.921","0.007","100.286","0.007","93.039","0.007","1060.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 O2 S4 -","- C46 H54 O2 S4 -","- C46 H54 O2 S4 -","1","0.5","","Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara","Structure–Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene–Phenylene Co-Oligomer with Bulky Terminal Substituents","The Journal of Physical Chemistry Letters","2014","5","13","2171","","10.1021/jz500925r","","","1.54178","CuKα","","0.0843","0.0435","","","0.1172","0.151","","","","","","0.991","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000207","10.0773","0.0016","12.626","0.002","17.705","0.004","82.176","0.014","77.112","0.012","76.89","0.013","2130","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 O S2 -","- C23 H27 O S2 -","- C92 H108 O4 S8 -","4","2","","Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara","Structure–Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene–Phenylene Co-Oligomer with Bulky Terminal Substituents","The Journal of Physical Chemistry Letters","2014","5","13","2171","","10.1021/jz500925r","","","1.54178","CuKα","","0.1575","0.089","","","0.2615","0.318","","","","","","1.07","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000208","6.202","0.005","8.602","0.008","12.334","0.012","83.36","0.04","79.79","0.03","73.78","0.03","620.3","1","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 N2 -","- C32 H36 N2 -","- C32 H36 N2 -","1","0.5","","Chen, Jinlong; Ma, Suqian; Zhang, Jibo; Wang, Lijuan; Ye, Ling; Li, Bao; Xu, Bin; Tian, Wenjing","Proton-Triggered Hypsochromic Luminescence in 1,1′-(2,5-Distyryl-1,4-phenylene) Dipiperidine","The Journal of Physical Chemistry Letters","2014","5","16","2781","","10.1021/jz501383d","","","0.71073","MoKα","","0.0639","0.0488","","","0.1411","0.1495","","","","","","1.113","","","","has coordinates","301880","2025-08-22","23:45:41",""
"9005119","9.891","","18.018","","5.276","","90","","104.15","","90","","911.739","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.16 Ca0.764 F0.33 Fe0.24 H1.67 K0.21 Mg4.22 Mn0.802 Na1.574 O23.67 Si7.92 -","- Al0.16 Ca0.7636 F0.33 Fe0.24 H1.67 K0.21 Mg4.22 Mn0.8016 Na1.5744 O23.67 Si7.92 -","- Al0.32 Ca1.5272 F0.66 Fe0.48 H3.34 K0.42 Mg8.44 Mn1.6032 Na3.1488 O47.34 Si15.84 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(1)","European Journal of Mineralogy","1993","5","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005120","9.892","","18.027","","5.278","","90","","104.09","","90","","912.873","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.14 Ca0.75 F0.34 Fe0.24 H1.66 K0.2 Mg4.28 Mn0.81 Na1.62 O23.66 Si7.9 -","- Al0.14 Ca0.75 F0.34 Fe0.24 H1.66 K0.2 Mg4.28 Mn0.81 Na1.62 O23.66 Si7.9 -","- Al0.28 Ca1.5 F0.68 Fe0.48 H3.32 K0.4 Mg8.56 Mn1.62 Na3.24 O47.32 Si15.8 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(2)","European Journal of Mineralogy","1993","5","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005121","9.909","","18.03","","5.278","","90","","104.23","","90","","914.03","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.2 Ca0.88 F0.3 Fe0.24 H1.7 K0.24 Mg4.28 Mn0.75 Na1.5 O23.7 Si7.84 -","- Al0.2 Ca0.88 F0.3 Fe0.24 H1.7 K0.24 Mg4.28 Mn0.75 Na1.5 O23.7 Si7.84 -","- Al0.4 Ca1.76 F0.6 Fe0.48 H3.4 K0.48 Mg8.56 Mn1.5 Na3 O47.4 Si15.68 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(3)","European Journal of Mineralogy","1993","5","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005122","9.966","","18.066","","5.279","","90","","104.4","","90","","920.601","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 -","- Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 -","- Al0.24 Ca1.84 F0.7 Fe0.4 H3.3 K0.7 Mg7.94 Mn1.9 Na2.9 O47.3 Si15.88 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(4)","European Journal of Mineralogy","1993","5","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005123","9.974","","18.078","","5.282","","90","","104.36","","90","","922.641","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 -","- Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 -","- Al0.24 Ca1.84 F0.7 Fe0.4 H3.3 K0.7 Mg7.94 Mn1.9 Na2.9 O47.3 Si15.88 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(5) using occupancies from MR(4)","European Journal of Mineralogy","1993","5","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005124","12.051","","12.051","","12.051","","90","","90","","90","","1750.13","","","","100","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe2 O12 Si3 -","- Ca3 Fe2 O12 Si3 -","- Ca24 Fe16 O96 Si24 -","8","0.0833333","","Armbruster, T.; Geiger, C. A.","Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 100K","European Journal of Mineralogy","1993","5","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005125","12.056","","12.056","","12.056","","90","","90","","90","","1752.31","","","","200","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe2 O12 Si3 -","- Ca3 Fe2 O12 Si3 -","- Ca24 Fe16 O96 Si24 -","8","0.0833333","","Armbruster, T.; Geiger, C. A.","Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 200K","European Journal of Mineralogy","1993","5","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005126","12.063","","12.063","","12.063","","90","","90","","90","","1755.36","","","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe2 O12 Si3 -","- Ca3 Fe2 O12 Si3 -","- Ca24 Fe16 O96 Si24 -","8","0.0833333","","Armbruster, T.; Geiger, C. A.","Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 293K","European Journal of Mineralogy","1993","5","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005127","12.068","","12.068","","12.068","","90","","90","","90","","1757.54","","","","350","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe2 O12 Si3 -","- Ca3 Fe2 O12 Si3 -","- Ca24 Fe16 O96 Si24 -","8","0.0833333","","Armbruster, T.; Geiger, C. A.","Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 350K","European Journal of Mineralogy","1993","5","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005128","12.081","","12.081","","12.081","","90","","90","","90","","1763.23","","","","500","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca3 Fe2 O12 Si3 -","- Ca3 Fe2 O12 Si3 -","- Ca24 Fe16 O96 Si24 -","8","0.0833333","","Armbruster, T.; Geiger, C. A.","Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 500K","European Journal of Mineralogy","1993","5","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005129","11.476","","11.476","","11.476","","90","","90","","90","","1511.37","","","","500","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Armbruster, T.; Geiger, C. A.","Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 500K","European Journal of Mineralogy","1993","5","","59","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005130","10.0547","","17.997","","5.2746","","90","","104.832","","90","","922.66","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca H2 K Mg5 Na O24 Si8 -","- Ca H2 K Mg5 Na O24 Si8 -","- Ca2 H4 K2 Mg10 Na2 O48 Si16 -","2","0.25","","Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C.","Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_0","European Journal of Mineralogy","1993","5","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005131","10.1063","","18.056","","5.2717","","90","","105.168","","90","","928.464","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca0.5 H2 K Mg5 Na O24 Si8 Sr0.5 -","- Ca0.5 H2 K Mg5 Na O24 Si8 Sr0.5 -","- Ca H4 K2 Mg10 Na2 O48 Si16 Sr -","2","0.25","","Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C.","Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_50","European Journal of Mineralogy","1993","5","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005132","10.1534","","18.115","","5.2723","","90","","105.421","","90","","934.816","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Richterite","- H2 K Mg5 Na O24 Si8 Sr -","- H2 K Mg5 Na O24 Si8 Sr -","- H4 K2 Mg10 Na2 O48 Si16 Sr2 -","2","0.25","","Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C.","Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_100","European Journal of Mineralogy","1993","5","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005133","12.519","","12.959","","6.575","","90","","115.17","","90","","965.405","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Cd In2 Na O12 P3 -","- Cd In2 Na O12 P3 -","- Cd4 In8 Na4 O48 P12 -","4","0.5","","Antenucci, D.; Miehe, G.; Tarte, P.; Schmahl, W. W.; Fransolet, A.-M.","Combined X-ray Rietveld, infrared and Raman study of a new synthetic variety of alluaudite, NaCdIn2(PO4)3","European Journal of Mineralogy","1993","5","","207","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005134","8.8169","","8.8169","","8.3873","","90","","90","","120","","564.657","","","","","","","","","","","","","5","P 63","P 6c","173","","","","- Ga3 K0.9 Na2.1 O12 Si3 -","- Ga3 K0.9 Na2.1 O12 Si3 -","- Ga6 K1.8 Na4.2 O24 Si6 -","2","0.333333","","Barbier, J.; Liu, B.; Weber, J.","Crystal chemistry of the (Na,K)GaSiO4 system Note: kalsilite structure","European Journal of Mineralogy","1993","5","","297","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005135","6.79","","17.581","","7.735","","90","","94.5","","90","","920.519","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","Brewsterite-Ba","- Al2.1 Ba0.9 H9.3 K0.02 Mg0.04 Na0.035 O20.88 Si5.9 -","- Al2.1 Ba0.9 H9.76 K0.02 Mg0.04 Na0.035 O20.88 Si5.9 -","- Al4.2 Ba1.8 H19.52 K0.04 Mg0.08 Na0.07 O41.76 Si11.8 -","2","0.5","","Cabella, R.; Lucchetti, G.; Palenzona, A.; Quartieri, S.; Vezzalini, G.","First occurrence of a Ba-dominant brewsterite: structural features","European Journal of Mineralogy","1993","5","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005136","5.3655","","9.293","","10.198","","90","","100.47","","90","","500.022","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","","Protolithionite","- Al1.49 Ca0.01 Cl0.03 F0.99 Fe2.02 H0.98 K0.92 Li0.33 Mg0.03 Mn0.07 Na0.09 O10.98 Rb0.01 Si2.98 -","- Al1.49 Ca0.01 Cl0.03 F0.99 Fe2.02 H0.98 K0.92 Li0.33 Mg0.03 Mn0.07 Na0.09 O10.98 Rb0.01 Si2.98 -","- Al2.98 Ca0.02 Cl0.06 F1.98 Fe4.04 H1.96 K1.84 Li0.66 Mg0.06 Mn0.14 Na0.18 O21.96 Rb0.02 Si5.96 -","2","0.25","","Weiss, Z.; Rieder, M.; Smrcok, L.; Petricek, V.; Bailey, S. W.","Refinement of the crystal structures of two ""protolithionites"" Sample : 1M","European Journal of Mineralogy","1993","5","","493","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005137","5.309","","5.309","","29.818","","90","","90","","120","","727.838","","","","","","","","","","","","","12","P 31 1 2","P 31 2 (0 0 4)","151","","","Protolithionite","- Al1.71 Ca0.01 F1.06 Fe1.59 H0.94 K0.92 Li0.37 Mn0.03 Na0.03 O10.94 Rb0.04 Si2.97 -","- Al1.71 Ca0.01 F1.06 Fe1.59 H0.94 K0.92 Li0.37 Mn0.03 Na0.03 O10.94 Rb0.04 Si2.97 -","- Al5.13 Ca0.03 F3.18 Fe4.77 H2.82 K2.76 Li1.11 Mn0.09 Na0.09 O32.82 Rb0.12 Si8.91 -","3","0.5","","Weiss, Z.; Rieder, M.; Smrcok, L.; Petricek, V.; Bailey, S. W.","Refinement of the crystal structures of two ""protolithionites"" Sample : 3T Note: x-coordinate of M3 changed in order to obey symmetry constraints","European Journal of Mineralogy","1993","5","","493","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005138","7.434","","7.434","","21.793","","90","","90","","90","","1204.38","","","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","Kamphaugite-(Y)","- C2 H3 Ca O8 Y -","- C2 H3 Ca O8 Y -","- C16 H24 Ca8 O64 Y8 -","8","1","","Romming, C.; Kocharian, A. K.; Raade, G.","The crystal structure of kamphaugite-(Y)","European Journal of Mineralogy","1993","5","","685","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005139","12.2471","","12.2471","","4.9287","","90","","90","","120","","640.22","","","","293.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: I, T = 20 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005140","12.2573","","12.2573","","4.9316","","90","","90","","120","","641.665","","","","293.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 20 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005141","12.2851","","12.2851","","4.9505","","90","","90","","120","","647.049","","","","683.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: III, T = 410 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005142","12.3184","","12.3184","","4.9674","","90","","90","","120","","652.782","","","","941.15","","","","","","","","","6","P 63","P 6c","173","","","Ellenbergerite","- Al3 H5 Mg3.7 O19 Si4 Ti0.3 -","- Al3 H4.99999 Mg3.7 O19 Si4 Ti0.3 -","- Al6 H9.99998 Mg7.4 O38 Si8 Ti0.6 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 668 deg C","European Journal of Mineralogy","1993","5","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005143","12.24","","12.24","","4.925","","90","","90","","120","","638.998","","","","","","","","400000","","","","","9","P 63","P 6c","173","","","Ellenbergerite","- Al3 Fe0.03 H5 Mg3.49 O19 P0.02 Si3.98 Ti0.6 Zr0.02 -","- Al3 Fe0.03 H4.99999 Mg3.49 O19 P0.02 Si3.98 Ti0.6 Zr0.02 -","- Al6 Fe0.06 H9.99998 Mg6.98 O38 P0.04 Si7.96 Ti1.2 Zr0.04 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 4 kbar","European Journal of Mineralogy","1993","5","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005144","12.16","","12.16","","4.882","","90","","90","","120","","625.166","","","","","","","","3200000","","","","","9","P 63","P 6c","173","","","Ellenbergerite","- Al2.88 Fe0.08 H5 Mg3.89 O19 P0.33 Si3.67 Ti0.2 Zr0.28 -","- Al2.88 Fe0.08 H4.99999 Mg3.89 O19 P0.33 Si3.67 Ti0.2 Zr0.28 -","- Al5.76 Fe0.16 H9.99998 Mg7.78 O38 P0.66 Si7.34 Ti0.4 Zr0.56 -","2","0.333333","","Comodi, P.; Zanazzi, P. F.","Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 32 kbar","European Journal of Mineralogy","1993","5","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005145","13.616","","18.238","","17.835","","90","","90","","90","","4428.94","","","","","","","","","","","","","7","F m m m","-F 2 2","69","","","Stilbite-Ca","- Al2.34 Ca0.945 H22.98 Mg0.107 Na0.188 O25.28 Si6.66 -","- Al2.34 Ca0.945 H14.56 Mg0.107 Na0.188 O25.28 Si6.66 -","- Al18.72 Ca7.56 H116.48 Mg0.856 Na1.504 O202.24 Si53.28 -","8","0.25","","Akizuki, M.; Kudoh, Y.; Satoh, Y.","Crystal structure of the orthorhombic {001} growth sector of stilbite","European Journal of Mineralogy","1993","5","","839","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005146","8.9639","","8.9639","","15.754","","90","","90","","90","","1265.86","","","","","","","","","","","","Poona, India","6","P 4/m n c","-P 4 2n","128","","","Fluorapophyllite-(K)","- Ca4 F H13.76 K O26.88 Si8 -","- Ca4 F H13.76 K O26.88 Si8 -","- Ca8 F2 H27.52 K2 O53.76 Si16 -","2","0.125","","Stahl, K.","A neutron powder diffraction study of partially dehydrated fluorapophyllite, KCa4Si8O20F*6.9H2O","European Journal of Mineralogy","1993","5","","845","849","","","","","","","","","","","","","","","","","","","","","","has coordinates","287586","2023-11-14","17:15:05",""
"9005147","14.863","","13.169","","7.537","","90","","110.18","","90","","1384.67","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite (deuterated)","- Al2 Ca D7.72 O16.5 Si4 -","- Al2 Ca D7.72 O16.5 Si4 -","- Al8 Ca4 D30.88 O66 Si16 -","4","0.5","","Stahl, K.; Artioli, G.","A neutron powder diffraction study of fully deuterated laumontite","European Journal of Mineralogy","1993","5","","851","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9005148","5.32","","9.207","","10.1","","90","","100.24","","90","","486.831","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.069 Ba0.007 F0.79 Fe0.246 H0.245 K0.933 Mg2.326 Mn0.005 Na0.06 O11.21 Si2.939 Ti0.414 -","- Al1.0692 Ba0.0065 F0.79 Fe0.2457 K0.9334 Mg2.3259 Mn0.0051 Na0.06 O11.21 Si2.9388 Ti0.4143 -","- Al2.1384 Ba0.013 F1.58 Fe0.4914 K1.8668 Mg4.6518 Mn0.0102 Na0.12 O22.42 Si5.8776 Ti0.8286 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 18","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005149","5.331","","9.23","","10.16","","90","","100.19","","90","","492.039","","","","","","","","","","","","","13","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.269 Ba0.026 Ca0.004 F0.233 Fe0.989 H0.843 K0.896 Mg1.611 Mn0.01 Na0.074 O11.767 Si2.748 Ti0.371 -","- Al1.2687 Ba0.0265 Ca0.0035 F0.2326 Fe0.9891 K0.8965 Mg1.611 Mn0.0096 Na0.074 O11.7674 Si2.7484 Ti0.3711 -","- Al2.5374 Ba0.053 Ca0.007 F0.4652 Fe1.9782 K1.793 Mg3.222 Mn0.0192 Na0.148 O23.5348 Si5.4968 Ti0.7422 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 19","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005150","5.323","","9.219","","10.219","","90","","100.03","","90","","493.81","","","","","","","","","","","","","13","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al2.253 Ba0.03 Ca0.026 F0.145 Fe0.801 H0.5 K0.876 Mg1.103 Mn0.026 Na0.068 O11.855 Si2.679 Ti0.138 -","- Al2.2533 Ba0.0295 Ca0.0265 F0.1446 Fe0.801 K0.8755 Mg1.1031 Mn0.0261 Na0.0685 O11.8554 Si2.6788 Ti0.138 -","- Al4.5066 Ba0.059 Ca0.053 F0.2892 Fe1.602 K1.751 Mg2.2062 Mn0.0522 Na0.137 O23.7108 Si5.3576 Ti0.276 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 20","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005151","5.326","","9.222","","10.223","","90","","100.04","","90","","494.427","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.457 Ba0.032 F0.165 Fe0.695 H1.265 K0.919 Mg1.997 Mn0.004 Na0.049 O11.835 Si2.68 Ti0.166 -","- Al1.457 Ba0.032 F0.1646 Fe0.6954 K0.919 Mg1.9965 Mn0.0045 Na0.049 O11.8354 Si2.6804 Ti0.1659 -","- Al2.914 Ba0.064 F0.3292 Fe1.3908 K1.838 Mg3.993 Mn0.009 Na0.098 O23.6708 Si5.3608 Ti0.3318 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 21","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005152","5.33","","9.245","","10.192","","90","","100.35","","90","","494.048","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.748 Ba0.036 F0.307 Fe0.745 H0.556 K0.854 Mg1.7 Mn0.007 Na0.11 O11.693 Si3.252 Ti0.487 -","- Al0.7482 Ba0.0355 F0.3066 Fe0.7446 K0.8545 Mg1.7001 Mn0.0066 Na0.11 O11.6934 Si3.2524 Ti0.4866 -","- Al1.4964 Ba0.071 F0.6132 Fe1.4892 K1.709 Mg3.4002 Mn0.0132 Na0.22 O23.3868 Si6.5048 Ti0.9732 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 22","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005153","5.328","","9.219","","10.233","","90","","99.88","","90","","495.179","","","","","","","","","","","","","13","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.464 Ba0.036 Ca0.002 F0.017 Fe0.883 H1.426 K0.881 Mg1.852 Mn0.009 Na0.082 O11.983 Si2.652 Ti0.141 -","- Al1.4637 Ba0.036 Ca0.0015 F0.0166 Fe0.8826 K0.881 Mg1.8516 Mn0.009 Na0.0815 O11.9834 Si2.6524 Ti0.141 -","- Al2.9274 Ba0.072 Ca0.003 F0.0332 Fe1.7652 K1.762 Mg3.7032 Mn0.018 Na0.163 O23.9668 Si5.3048 Ti0.282 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 23 Note: O2 z-coordinate changed in order to reproduce bond lengths","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005154","5.328","","9.224","","10.247","","90","","100.01","","90","","495.928","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.504 Ba0.037 F0.041 Fe1.017 H1.089 K0.905 Mg1.666 Mn0.01 Na0.058 O11.959 Si2.624 Ti0.179 -","- Al1.5037 Ba0.037 F0.041 Fe1.017 K0.9055 Mg1.6659 Mn0.0096 Na0.0575 O11.959 Si2.6244 Ti0.1794 -","- Al3.0074 Ba0.074 F0.082 Fe2.034 K1.811 Mg3.3318 Mn0.0192 Na0.115 O23.918 Si5.2488 Ti0.3588 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 24","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005155","5.333","","9.241","","10.18","","90","","100.1","","90","","493.919","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.655 Ba0.115 F0.258 Fe0.999 H1.218 K0.885 Mg1.58 Mn0.007 O11.742 Si2.587 Ti0.171 -","- Al1.6552 Ba0.1154 F0.258 Fe0.999 K0.8846 Mg1.5804 Mn0.0069 O11.742 Si2.5872 Ti0.171 -","- Al3.3104 Ba0.2308 F0.516 Fe1.998 K1.7692 Mg3.1608 Mn0.0138 O23.484 Si5.1744 Ti0.342 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 25","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005156","5.322","","9.209","","10.163","","90","","100.17","","90","","490.266","","","","","","","","","","","","","13","C 1 2/m 1","-C 2y","12","","","Kinoshitalite","- Al2.003 Ba0.481 Ca0.004 F0.669 Fe0.295 H1.331 K0.475 Mg2.441 Mn0.019 Na0.041 O11.331 Si2.199 Ti0.043 -","- Al2.0028 Ba0.4805 Ca0.0045 F0.6686 Fe0.2949 K0.4745 Mg2.4411 Mn0.0189 Na0.0405 O11.3314 Si2.1988 Ti0.0435 -","- Al4.0056 Ba0.961 Ca0.009 F1.3372 Fe0.5898 K0.949 Mg4.8822 Mn0.0378 Na0.081 O22.6628 Si4.3976 Ti0.087 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 26","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005157","5.318","","9.214","","10.164","","90","","100.11","","90","","490.303","","","","","","","","","","","","","13","C 1 2/m 1","-C 2y","12","","","Kinoshitalite","- Al1.997 Ba0.543 Ca0.01 F0.714 Fe0.272 H1.286 K0.408 Mg2.533 Mn0.004 Na0.039 O11.286 Si2.168 Ti0.026 -","- Al1.9966 Ba0.5428 Ca0.0105 F0.7136 Fe0.2721 K0.4077 Mg2.5335 Mn0.0039 Na0.039 O11.2864 Si2.1684 Ti0.0255 -","- Al3.9932 Ba1.0856 Ca0.021 F1.4272 Fe0.5442 K0.8154 Mg5.067 Mn0.0078 Na0.078 O22.5728 Si4.3368 Ti0.051 -","2","0.25","","Brigatti, M. F.; Poppi, L.","Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 27","European Journal of Mineralogy","1993","5","","857","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005158","12.374","","12.374","","12.374","","90","","90","","90","","1894.66","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Hydrogarnet","- Al3.5 Ca3 H9.785 O12 -","- Al3.5 Ca3 H7.5 O12 -","- Al28 Ca24 H60 O96 -","8","0.0833333","","Schropfer, L.; Bartl, H.","Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 Sample: specimen C12A7H15, intermediate phase resulting from the decomposition of hydrogarnet. Ca12Al14O33(H2O)15","European Journal of Mineralogy","1993","5","","1133","1144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005159","12.458","","12.458","","12.458","","90","","90","","90","","1933.5","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Hydrogarnet","- Al2.849 Ca3 H9.6 O12 -","- Al2.849 Ca3 H9.6 O12 -","- Al22.792 Ca24 H76.8 O96 -","8","0.0833333","","Schropfer, L.; Bartl, H.","Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 Sample: specimen C12A5.7H20, dehydration product of hydrogarnet after 3 weeks.","European Journal of Mineralogy","1993","5","","1133","1144","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005160","9.704","","17.99","","5.297","","90","","103.51","","90","","899.136","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Parvowinchite","- Al0.11 Ca0.388 F0.4 Fe0.72 H1.6 K0.03 Li0.06 Mg4.008 Mn0.948 Na1.168 O23.6 Si7.88 -","- Al0.1096 Ca0.388 F0.4 Fe0.72 H1.6 K0.03 Li0.06 Mg4.008 Mn0.948 Na1.168 O23.6 Si7.88 -","- Al0.2192 Ca0.776 F0.8 Fe1.44 H3.2 K0.06 Li0.12 Mg8.016 Mn1.896 Na2.336 O47.2 Si15.76 -","2","0.25","","Oberti, R.; Ghose, S.","Crystal-chemistry of a complex Mn-bearing alkali amphibole (""tirodite"") on the verge of exsolution","European Journal of Mineralogy","1993","5","","1153","1160","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005161","14.51","","5.558","","5.173","","90","","90","","90","","417.185","","","","","","","","","","","","Elba Island, Italy","10","P b c n","-P 2n 2ab","60","","","Uranopolycrase","- Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29 -","- Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29 -","- Ca0.08 Mn0.12 Nb1.44 Nd0.04 O24 Ta0.48 Th0.28 Ti5.84 U2.48 Y1.16 -","4","0.5","","Aurisicchio, C.; Orlandi, P.; Pasero, M.; Perchiazzi, N.","Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), a new mineral from Elba Island, Italy, and its crystal structure","European Journal of Mineralogy","1993","5","","1161","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005162","7.715","","7.715","","3.648","","90","","90","","90","","217.133","","","","","","","","","","","","Cetine mine, Tuscany, Italy","4","P 4/n :2","-P 4a","85","","","Rosenbergite","- Al F3 H6 O3 -","- Al F3 H6 O3 -","- Al2 F6 H12 O6 -","2","0.25","","Olmi, F.; Sabelli, C.; Trosti-Ferroni R","Rosenbergite, AlF[F0.5(H2O)0.5}4.H2O, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure","European Journal of Mineralogy","1993","5","","1167","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005758","4.4007","","9.4253","","2.8452","","90","","90","","90","","118.013","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Hill, R. J.","Crystal structure refinement and electron density distribution in diaspore Sample: Neutral atom refinement","Physics and Chemistry of Minerals","1979","5","","179","200","10.1007/BF00307552","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005759","4.4007","","9.4253","","2.8452","","90","","90","","90","","118.013","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Hill, R. J.","Crystal structure refinement and electron density distribution in diaspore Sample: Core/valence population and kappa refinement","Physics and Chemistry of Minerals","1979","5","","179","200","10.1007/BF00307552","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007428","16.27","","5.632","","13.23","","90","","134.8","","90","","860.212","","","","","","","","","","","","Scawt Hill, Northern Ireland","4","C 1 c 1","C -2yc","9","","","Afwillite","- Ca3 H6 O10 Si2 -","- Ca3 H6 O10 Si2 -","- Ca12 H24 O40 Si8 -","4","1","","Megaw, H. D.","The structure of afwillite, Ca3(SiO3OH)2*2H2O","Acta Crystallographica","1952","5","","477","491","10.1107/S0365110X52001404","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9009994","4.148","","4.148","","7.354","","90","","90","","120","","109.58","","","","","","","","","","","","Osterby, parish of Skedevi, Dalecarlia, Sweden","2","P 63/m m c","-P 6c 2c","194","","","Fluocerite-(La)","- F3 La -","- F3 La -","- F6 La2 -","2","0.0833333","","Schlyter, K.","On the crystal structure of fluorides of the tysonite LaF3 type","Arkiv for Kemi","1952","5","","73","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010971","15.11","","5.67","","3.71","","90","","103.75","","90","","308.741","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C K O3 -","- C K O3 -","- C4 K4 O12 -","4","1","","Nitta, I.; Tomiie, Y.; Koo, C. H.","The crystal structure of potassium bicarbonate, KHCO3","Acta Crystallographica","1952","5","","292","292","10.1107/S0365110X52000848","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010972","6.07","","5.94","","6.14","","90","","90","","90","","221.383","","","","143.15","","","","","","","","","2","A e a 2","A 2 -2ab","41","","","","- O2 S -","- O2 S -","- O8 S4 -","4","0.5","","Post, B.; Schwartz, R. S.; Fankuchen, I.","The crystal structure of sulfur dioxide Sample: T = -130 C","Acta Crystallographica","1952","5","","372","374","10.1107/S0365110X5200109X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010973","9.34","","9.22","","10.61","","90","","90","","90","","913.678","","","","","","","","","","","","synthetic Ca2SiO3OHOH","3","P b c a","-P 2ac 2ab","61","","","Poldervaartite","- Ca2 O5 Si -","- Ca2 O5 Si -","- Ca16 O40 Si8 -","8","1","","Heller, L.","The structure of dicalcium silicate alpha-hydrate","Acta Crystallographica","1952","5","","724","728","10.1107/S0365110X52002033","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010974","9.27","","13.5","","6.56","","90","","106.62","","90","","786.654","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As S -","- As16 S16 -","16","4","","Ito, T.; Morimoto, N.; Sadanaga, R.","The crystal structure of realgar locality: Saimoko, Japan","Acta Crystallographica","1952","5","","775","782","10.1107/S0365110X52002112","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011840","10.48","","10.2","","7.33","","90","","92.5","","90","","782.802","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","Lovozerite","- H0.5 Na2.5 O18.5 Si6 Zr -","- H0.5 Na2.5 O18.5 Si6 Zr -","- H Na5 O37 Si12 Zr2 -","2","0.5","","Ilyukhin, V. V.; Belov, N. V.","Derivation of the structure of lovozerite from sections of the three-dimensional Patterson function","Soviet Physics Crystallography","1960","5","","186","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011841","6.39","","6.86","","5.89","","101","","104","","71","","235.099","","","","","","","","","","","","Zhelezny Rog deposit near Anapa, Tamansk peninsula","5","P -1","-P 1","2","","","Anapaite","- Ca2 Fe H8 O12 P2 -","- Ca2 Fe H8 O12 P2 -","- Ca2 Fe H8 O12 P2 -","1","0.5","","Rumanova, I. M.; Znamenskaya, M. N.","The crystal structure of anapaite","Soviet Physics Crystallography","1961","5","","650","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012107","7.243","","8.808","","5.908","","90","","90","","90","","376.909","","","","140","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","van Rensburg, D. J. J.; Boeyens, J. C. A.","The crystal structure of ammonium tetrafluoroborate IV at 140 K Sample: T = 140 K Note: x(H2), y(H2) adjusted to match reported bond lengths","Journal of Solid State Chemistry","1972","5","","79","84","10.1016/0022-4596(72)90013-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012784","12.664","","10.091","","11.322","","90","","109.6","","90","","1363.03","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Admontite","- B6 H22 Mg O17 -","- B6 H22 Mg O17 -","- B24 H88 Mg4 O68 -","4","1","","dal Negro, A.; Ungaretti, L.; Basso, R.","The crystal structure of synthetic hydrated borates: (II) MgO*3B2O3*7H2O","Crystal Structure Communications","1976","5","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9012800","4.0235","","19.074","","15.737","","90","","91.89","","90","","1207.07","","","","","","","","","","","","Siberia","4","P 1 21/c 1","-P 2ybc","14","","","Jamesonite","- Fe Pb4 S14 Sb6 -","- Fe Pb4 S14 Sb6 -","- Fe2 Pb8 S28 Sb12 -","2","0.5","","Leone, P.; Le Leuch, L. M.; Palvadeau, P.; Molinie, P.; Moelo, Y.","Single crystal structures and magnetic properties of two iron or manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn)","Solid State Sciences","2003","5","","771","776","10.1016/S1293-2558(03)00090-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012801","4.0216","","19.178","","15.837","","90","","91.89","","90","","1220.78","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Benavidesite","- Mn Pb4 S14 Sb6 -","- Mn Pb4 S14 Sb6 -","- Mn2 Pb8 S28 Sb12 -","2","0.5","","Leone, P.; Le Leuch, L. M.; Palvadeau, P.; Molinie, P.; Moelo, Y.","Single crystal structures and magnetic properties of two iron or manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn) Loclaity: synthetic","Solid State Sciences","2003","5","","771","776","10.1016/S1293-2558(03)00090-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012843","4.7681","","7.6757","","9.9301","","90","","90.171","","90","","363.425","","","","","","","","","","","","Daxinganling, China","5","P 1 21/c 1","-P 2ybc","14","","","Hingganite-(Ce)","- Be0.96 Ce0.92 H O5 Si0.98 -","- Be0.96 Ce0.92 H O5 Si0.98 -","- Be3.84 Ce3.68 H4 O20 Si3.92 -","4","1","","Lulu, X. M.; Zhi-Zhong P","Crystal structure of xinganite","Geochemistry","1986","5","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012855","12.74","","4.25","","5.665","","90","","102.58","","90","","299.368","","","","","","","","","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Froodite","- Bi2 Pd -","- Bi2 Pd -","- Bi8 Pd4 -","4","0.5","","Zhuravlev, N. N.","Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Note: low temperature modification Note: unable to reproduce reported bond lengths","Soviet Journal of Experimental and Theoretical Physics","1957","5","","1064","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012856","8.707","","7.203","","10.662","","90","","90","","90","","668.684","","","","","","","","","","","","Synthetic","2","C m c 21","C 2c -2","36","","","Polarite","- Bi Pd -","- Bi Pd -","- Bi16 Pd16 -","16","2","","Zhuravlev, N. N.","Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic","Soviet Journal of Experimental and Theoretical Physics","1957","5","","1064","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012857","3.362","","3.362","","12.983","","90","","90","","90","","146.747","","","","","","","","","","","","Synthetic","2","I 4/m m m","-I 4 2","139","","","Urvantsevite","- Bi2 Pd -","- Bi2 Pd -","- Bi4 Pd2 -","2","0.0625","","Zhuravlev, N. N.","Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Note: high temperature modification","Soviet Journal of Experimental and Theoretical Physics","1957","5","","1064","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012924","3.282","","3.282","","3.282","","90","","90","","90","","35.352","","","","298","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Titanium","","Titanium","- Ti -","- Ti -","- Ti2 -","2","0.0208333","","Levinger, B. W.","Lattice parameters of beta titanium at room temperature Sample: at T = 298 K, known as the beta phase","Journal of Metals","1953","5","","195","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013147","8.3346","","8.3346","","8.3346","","90","","90","","90","","578.968","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co Cr2 O4 -","- Co Cr2 O4 -","- Co8 Cr16 O32 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.00","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013148","8.3461","","8.3461","","8.3461","","90","","90","","90","","581.368","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.2 Cr1.7 O4 Sb0.1 -","- Co1.2 Cr1.7 O4 Sb0.1 -","- Co9.6 Cr13.6 O32 Sb0.8 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.10, Co1.2Cr1.7Sb.1O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013149","8.3783","","8.3783","","8.3783","","90","","90","","90","","588.122","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.4 Cr1.4 O4 Sb0.2 -","- Co1.4 Cr1.4 O4 Sb0.2 -","- Co11.2 Cr11.2 O32 Sb1.6 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.20, Co1.4Cr1.4Sb.2O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013150","8.4187","","8.4187","","8.4187","","90","","90","","90","","596.671","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.6 Cr1.1 O4 Sb0.3 -","- Co1.6 Cr1.1 O4 Sb0.3 -","- Co12.8 Cr8.8 O32 Sb2.4 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.30, Co1.6Cr1.1Sb.3O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013151","8.4577","","8.4577","","8.4577","","90","","90","","90","","605.002","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.8 Cr0.8 O4 Sb0.4 -","- Co1.8 Cr0.8 O4 Sb0.4 -","- Co14.4 Cr6.4 O32 Sb3.2 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.40, Co1.8Cr.8Sb.4O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013152","8.4909","","8.4909","","8.4909","","90","","90","","90","","612.155","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2 Cr0.5 O4 Sb0.5 -","- Co2 Cr0.5 O4 Sb0.5 -","- Co16 Cr4 O32 Sb4 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.50, Co2Cr.5Sb.5O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013153","8.5185","","8.5185","","8.5185","","90","","90","","90","","618.144","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2.2 Cr0.2 O4 Sb0.6 -","- Co2.2 Cr0.2 O4 Sb0.6 -","- Co17.6 Cr1.6 O32 Sb4.8 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.60, Co2.2Cr.2Sb.6O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013154","8.533","","8.533","","8.533","","90","","90","","90","","621.306","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2.333 O4 Sb0.667 -","- Co2.33334 O4 Sb0.66666 -","- Co18.6667 O32 Sb5.33328 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 2/3, Co2.333Sb.667O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013991","9.63","","9.63","","7.22","","90","","90","","120","","579.856","","","","","","","","","","","","","5","P 63","P 6c","173","","","Fluorstrophite","- Ca2 F O12 P3 Sr3 -","- Ca1.99999 F O12 P3 Sr3.00001 -","- Ca3.99998 F2 O24 P6 Sr6.00002 -","2","0.333333","","Klevtsova, R. F.","The crystal structure of strontium-apatite","Journal of Structural Chemistry","1964","5","","318","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013993","5.5241","","5.5241","","11.0113","","90","","90","","120","","291","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- Fe3 H30 O12.236 S0.5 -","- Fe3 O12.236 S0.5 -","- Fe3 O12.236 S0.5 -","1","0.0833333","","Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R.","Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Locality: synthetic","Solid State Sciences","2003","5","","327","334","10.1016/S1293-2558(02)00019-5","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9015125","7.06","","14.64","","5.33","","90","","90","","90","","550.9","","","","","","","","","","","","Nodatamagawa manganese mine, Iwate, Japan","4","A m a m","-A 2 2a","63","","","Haradaite","- O7 Si2 Sr V -","- O7 Si2 Sr V -","- O28 Si8 Sr4 V4 -","4","0.25","","Takeuchi, Y.; Joswig, W.","The structure of haradaite and a note on the Si-O bond lengths in silicates","Mineralogical Journal","1967","5","","98","123","10.2465/minerj1953.5.98","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9016097","13.42","","13.42","","7.159","","90","","90","","120","","1116.57","","","","","","","","","","","","Kyurazawa mine, Tochigi Prefecture, Japan","4","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- H10 Mn8 O25 Si6 -","- H10 Mn8 O25 Si6 -","- H20 Mn16 O50 Si12 -","2","0.166667","","Takeuchi, Y.; Kawada, I.; Irimaziri, S.; Sadanaga, R.","The crystal structure and polytypism of manganpyrosmalite","Mineralogical Journal","1969","5","","450","467","10.2465/minerj1953.5.450","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017479","11.347","","9.63","","10.392","","90","","114.52","","90","","1033.14","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Deveroite-(Ce)","- C3 H9.3 Ce O10.65 -","- C3 H9.3 Ce O10.65 -","- C12 H37.2 Ce4 O42.6 -","4","1","","Ollendorff, W.; Weigel, F.","The crystal structure of some lanthanide oxalate decahydrates, Ln2(C2O4)3*10H2O, with Ln = La, Ce, Pr, and Nd","Inorganic and Nuclear Chemistry Letters","1969","5","","263","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017818","5.5241","","5.5241","","11.0113","","90","","90","","120","","291","","","","","","","","","","","","Synthetic","4","P -3 1 m","-P 3 2","162","","","","- Fe3 H14.472 O12.236 S0.5 -","- Fe3 H14.472 O12.236 S0.5 -","- Fe3 H14.472 O12.236 S0.5 -","1","0.0833333","","Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R.","Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis","Solid State Sciences","2003","5","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""