# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T18:56:18+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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507269","25.451","0.0001","13.456","0.0002","28.128","0.0004","90","","90","","90","","9633","0.2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H26 Co F15 N5 P -","- C57 H26 Co F15 N5 P -","- C456 H208 Co8 F120 N40 P8 -","8","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.1135","0.0665","","","0.161","0.1854","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507285","15.107","0.002","6.18","0.001","19.739","0.003","90","0","90","0","90","0","1842.9","0.5","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","","Benati, Luisa; Calestani, Gianluca; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Strazzari, Samantha","Generation and intramolecular reactivity of acyl radicals from alkynylthiol esters under reducing tin-free conditions.","Organic letters","2003","5","8","1313","1316","10.1021/ol034252r","","","1.54178","CuKα","","0.1","0.0882","","0.2615","","0.2287","","","1.015","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507315","12.099","0.002","7.654","0.0015","14.849","0.003","90","","90","","90","","1375.1","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","methylene[1,2,3,4,5,6,7]-heptathiocane","","","- C6 H11 N S7 -","- C6 H11 N S7 -","- C24 H44 N4 S28 -","4","1","","Konstantinova, Lidia S.; Rakitin, Oleg A.; Rees, Charles W.; Souvorova, Ljudmila I.; Golovanov, Denis G.; Lyssenko, Konstantin A.","Unprecedented conversion of triethylamine and disulfur dichloride into a thienopentathiepin and a heptathiocane.","Organic letters","2003","5","11","1939","1942","10.1021/ol034513x","","","0.71073","MoKα","","0.0768","0.0439","","","0.1072","0.1212","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507328","12.4162","0.0003","7.6844","0.0002","26.1667","0.0006","90","","90","","90","","2496.59","0.11","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Oxidative demetalation of cyclohexadienyl ruthenium(II) complexes: a net Ru-mediated dearomatization.","Organic letters","2003","5","11","2011","2014","10.1021/ol034646i","","","0.71073","MoKα","","0.1119","0.0664","","","0.1396","0.1605","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","211196","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507333","16.252","0.007","15.611","0.007","20.917","0.009","90","","90","","90","","5307","4","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H24 -","- C38 H24 -","- C304 H192 -","8","1","","Deaton, Kimberly R.; Gin, Mary S.","Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes.","Organic letters","2003","5","14","2477","2480","10.1021/ol034720x","","","0.71073","MoKα","","0.0712","0.0438","","","0.1014","0.1108","","","","","","1.027","","","","has coordinates","287940","2023-12-01","17:20:57",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507345","22.7324","0.0015","9.6336","0.0006","26.7417","0.0018","90","","90","","90","","5856.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,7,12,17-tetraethyl-3,6,13,16-tetrakis(trifluoromethyl)porphycene","","- C32 H26 F12 N4 -","- C32 H26 F12 N4 -","- C256 H208 F96 N32 -","8","1","","Hayashi, Takashi; Nakashima, Yuji; Ito, Kazuyuki; Ikegami, Takahiro; Aritome, Isao; Suzuki, Akihiro; Hisaeda, Yoshio","Synthesis, structure, and chemical property of the first fluorine-containing porphycene.","Organic letters","2003","5","16","2845","2848","10.1021/ol0348452","","","0.71073","MoKα","","0.0943","0.0723","","","0.1424","0.1522","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","189959","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1507368","12.774","0.007","10.955","0.004","25.097","0.009","90","","90","","90","","3512","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Booker-Milburn, Kevin I; Jenkins, Helen; Charmant, Jonathan P. H.; Mohr, Peter","Synthesis of the reported structure of pogostol and a total aynthesis of (+/-)-kessane without the use of protecting groups.","Organic letters","2003","5","18","3309","3312","10.1021/ol035373u","","","0.71073","MoKα","","0.073","0.0473","","","0.092","0.1008","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507376","26.465","0.005","9.181","0.001","9.973","0.002","90","","90","","90","","2423.2","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C112 H100 N12 O16 -","4","1","","Wang, Yuanhua; Zhu, Yanxin; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao; Doyle, Michael P.","A novel three-component reaction catalyzed by dirhodium(II) acetate: decomposition of phenyldiazoacetate with arylamine and imine for highly diastereoselective synthesis of 1,2-diamines.","Organic letters","2003","5","21","3923","3926","10.1021/ol035490p","","","0.71073","MoKα","","0.0763","0.0366","","","0.0632","0.072","","","","","","0.838","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507380","16.862","0.0002","11.0458","0.0001","16.9723","0.0002","90","","90","","90","","3161.16","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C136 H192 N16 O16 -","8","1","","Bon, Robin S.; Hong, Chongen; Bouma, Marinus J.; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A.","Novel multicomponent reaction for the combinatorial synthesis of 2-imidazolines.","Organic letters","2003","5","20","3759","3762","10.1021/ol035521g","","","0.71073","MoKα","","0.0537","0.0386","","","0.0986","0.107","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"1507411","23.8484","0.0009","20.3212","0.0006","15.0907","0.0004","90","","90","","90","","7313.4","0.4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H104 N6 O10 S2 -","- C72 H104 N6 O10 S2 -","- C288 H416 N24 O40 S8 -","4","1","","Tumcharern, Gamolwan; Tuntulani, Thawatchai; Coles, Simon J.; Hursthouse, Michael B.; Kilburn, Jeremy D.","A novel ditopic receptor and reversal of anion binding selectivity in the presence and absence of bound cation.","Organic letters","2003","5","26","4971","4974","10.1021/ol035894h","","","0.71073","MoKα","","0.0864","0.053","","","0.1214","0.1389","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"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","201954","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1513651","9.7184","0.0001","11.6807","0.0002","35.4816","0.0005","90","","90","","90","","4027.79","0.1","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H35 P -","- C22 H35 P -","- C176 H280 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.037","0.0356","","","0.0951","0.0964","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1513667","7.6612","0.0001","13.3624","0.0001","28.3524","0.0003","90","","90","","90","","2902.49","0.05","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","RajanBabu1748","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C112 H120 N24 O24 S8 -","8","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.053","0.0322","","","0.0769","0.0829","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1513678","17.333","0.0014","8.3372","0.0006","14.4037","0.001","90","","90","","90","","2081.5","0.3","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl2 F3 N O4 P S -","- C14 H25 Cl2 F3 N O4 P S -","- C56 H100 Cl8 F12 N4 O16 P4 S4 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0945","0.053","","","0.1155","0.13","","","","","","0.97","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1513694","8.8131","0.0015","13.356","0.002","26.551","0.005","90","","90","","90","","3125.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trifluoro-1,4,7-trimethyl-1,4,7-triazonane-aluminium(III) hydrate","","- C9 H29 Al F3 N3 O4 -","- C9 H29 Al F3 N3 O4 -","- C72 H232 Al8 F24 N24 O32 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.1239","0.0791","","","0.1685","0.1957","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1513795","11.6585","0.0007","12.5084","0.0007","33.328","0.002","90","","90","","90","","4860.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H31 F5 Si3 -","- C21 H31 F5 Si3 -","- C168 H248 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0373","0.0334","","","0.091","0.0937","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","189099","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1514295","14.0939","0.0012","19.1285","0.0016","26.663","0.002","90","","90","","90","","7188.2","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 F3 N3 O3 Pt S -","- C37 H30 F3 N3 O3 Pt S -","- C296 H240 F24 N24 O24 Pt8 S8 -","8","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0347","0.0269","","","0.0588","0.0609","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1514318","17.9132","0.0006","11.6738","0.0004","21.3034","0.0008","90","","90","","90","","4454.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mo N2 O4 -","- C22 H24 Mo N2 O4 -","- C176 H192 Mo8 N16 O32 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.0315","0.024","","","0.0601","0.0647","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"1515887","12.8758","0.0003","17.5058","0.0004","18.2986","0.0004","90","","90","","90","","4124.53","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0608","0.0507","","","0.1066","0.1113","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176435","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","204128","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","215051","2020-10-21","18:00:00",""
"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","215051","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"1517358","22.231","0.003","12.5844","0.0017","12.8929","0.0017","90","","90","","90","","3607","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","XPhosAu(MeCN)PF6","(Acetonitrile)[2-dicyclohexylphosphino-2,4,6-triisopropylbiphenyl]gold(I) hexafluorophosphate","","- C35 H52 Au F6 N P2 -","- C35 H52 Au F6 N P2 -","- C140 H208 Au4 F24 N4 P8 -","4","1","","Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W.","Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement","Chem. Sci.","2014","5","12","4975","","10.1039/C4SC02058H","","","0.71073","MoKα","","0.0359","0.0313","","","0.0669","0.0682","","","","","","1.202","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517359","23.6604","0.0011","9.3856","0.0004","10.4813","0.0005","90","","90","","90","","2327.55","0.18","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd-alkyne cat","","","- C20 H35 Cl P2 Pd -","- C20 H35 Cl P2 Pd -","- C80 H140 Cl4 P8 Pd4 -","4","1","","Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan","Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex","Polym. Chem.","2014","5","22","6435","","10.1039/C4PY01023J","","","0.71073","MoKα","","0.0374","0.0284","","","0.05","0.0552","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","138464","2020-10-21","18:00:00",""
"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","138464","2020-10-21","18:00:00",""
"1519632","16.6109","0.0004","8.7885","0.0002","17.8015","0.0005","90","","90","","90","","2598.75","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo O3 -","- C15 H12 Mo O3 -","- C120 H96 Mo8 O24 -","8","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0237","0.0213","","","0.0559","0.0581","","","","","","1.051","","","","has coordinates","171425","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"1520261","22.318","0.004","10.108","0.003","9.029","0.007","90","","90","","90","","2036.9","1.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Cl F N4 O3 -","- C20 H20 Cl F N4 O3 -","- C80 H80 Cl4 F4 N16 O12 -","4","1","","Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C.","A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors","RSC Advances","2015","5","64","51717","51721","10.1039/C5RA07783D","","","0.71069","MoKα","","0.0974","0.0812","","","0.2212","0.2366","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:43",""
"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","170918","2020-10-21","18:00:00",""
"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","170918","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","152922","2020-10-21","18:00:00",""
"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","152922","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","170126","2020-10-21","18:00:00",""
"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","170837","2020-10-21","18:00:00",""
"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","170838","2020-10-21","18:00:00",""
"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","170839","2020-10-21","18:00:00",""
"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","200970","2020-10-21","18:00:00",""
"1547213","12.7424","0.0009","17.4112","0.0007","21.0833","0.001","90","","90","","90","","4677.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N12 O12 -","- C16 H20 N12 O12 -","- C128 H160 N96 O96 -","8","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.1339","0.0801","","","0.1233","0.1386","","","","","","1.164","","","","has coordinates","200978","2020-10-21","18:00:00",""
"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","200979","2020-10-21","18:00:00",""
"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","201074","2020-10-21","18:00:00",""
"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","201508","2020-10-21","18:00:00",""
"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","201518","2020-10-21","18:00:00",""
"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","203758","2020-10-21","18:00:00",""
"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","203764","2020-10-21","18:00:00",""
"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","204315","2020-10-21","18:00:00",""
"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","204316","2020-10-21","18:00:00",""
"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","204317","2020-10-21","18:00:00",""
"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","207260","2020-10-21","18:00:00",""
"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","207260","2020-10-21","18:00:00",""
"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","207260","2020-10-21","18:00:00",""
"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","207260","2020-10-21","18:00:00",""
"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","207260","2020-10-21","18:00:00",""
"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","207406","2020-10-21","18:00:00",""
"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","207406","2020-10-21","18:00:00",""
"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","208221","2020-10-21","18:00:00",""
"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","288248","2023-12-12","12:55:26",""
"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","208221","2020-10-21","18:00:00",""
"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","208624","2020-10-21","18:00:00",""
"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","208624","2020-10-21","18:00:00",""
"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","210481","2020-10-21","18:00:00",""
"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","210977","2020-10-21","18:00:00",""
"1549949","8.6825","0.0008","42.095","0.006","9.7523","0.0009","90","","90","","90","","3564.4","0.7","150.01","0.1","150.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C160 H192 N32 -","16","4","","Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose","Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole","IUCrJ","2018","5","6","","","10.1107/S2052252518011685","","x-ray","1.5418","CuKα","","0.0416","0.0405","","","0.0642","0.0645","","","","3.57","3.57","3.53","","","","has coordinates","210977","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211663","2020-10-21","18:00:00",""
"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","211703","2020-10-21","18:00:00",""
"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","211703","2020-10-21","18:00:00",""
"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","211703","2020-10-21","18:00:00",""
"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","215448","2020-10-21","18:00:00",""
"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","215833","2020-10-21","18:00:00",""
"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","215957","2020-10-21","18:00:00",""
"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","216058","2020-10-21","18:00:00",""
"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","216059","2020-10-21","18:00:00",""
"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","216517","2020-10-21","18:00:00",""
"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","216881","2020-10-21","18:00:00",""
"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","216882","2020-10-21","18:00:00",""
"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","216883","2020-10-21","18:00:00",""
"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","216884","2020-10-21","18:00:00",""
"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","216885","2020-10-21","18:00:00",""
"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","216886","2020-10-21","18:00:00",""
"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","216887","2020-10-21","18:00:00",""
"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","216888","2020-10-21","18:00:00",""
"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","216889","2020-10-21","18:00:00",""
"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","233271","2020-10-21","18:00:00",""
"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","233275","2020-10-21","18:00:00",""
"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","233275","2020-10-21","18:00:00",""
"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","236101","2020-10-21","18:00:00",""
"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","236101","2020-10-21","18:00:00",""
"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","236109","2020-10-21","18:00:00",""
"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","236111","2020-10-21","18:00:00",""
"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","236111","2020-10-21","18:00:00",""
"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","236116","2020-10-21","18:00:00",""
"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","236121","2020-10-21","18:00:00",""
"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","236123","2020-10-21","18:00:00",""
"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","236123","2020-10-21","18:00:00",""
"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","236125","2020-10-21","18:00:00",""
"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","236125","2020-10-21","18:00:00",""
"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","236127","2020-10-21","18:00:00",""
"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","236127","2020-10-21","18:00:00",""
"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","236129","2020-10-21","18:00:00",""
"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","236131","2020-10-21","18:00:00",""
"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","275856","2022-06-07","07:08:27",""
"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 -","- C10.5 H8.5 Br0.5 N O0.5 -","- C84 H68 Br4 N8 O4 -","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","","","0.71073","MoKα","","0.119","0.0742","","","0.2136","0.2675","","","","","","1.095","","","","has coordinates","236135","2020-10-21","18:00:00",""
"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","275434","2022-05-16","05:31:57",""
"1553897","18.1727","0.0015","10.5743","0.0009","23.813","0.0019","90","","90","","90","","4576","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl F3 N2 O3 -","- C23 H20 Cl F3 N2 O3 -","- C184 H160 Cl8 F24 N16 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","2","210","","10.1039/C7QO00772H","","","0.71073","MoKα","","0.1089","0.0596","","","0.1255","0.1478","","","","","","1.032","","","","has coordinates","236137","2020-10-21","18:00:00",""
"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","236137","2020-10-21","18:00:00",""
"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","236139","2020-10-21","18:00:00",""
"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","236142","2020-10-21","18:00:00",""
"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","295937","2024-11-15","14:43:14",""
"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","236150","2020-10-21","18:00:00",""
"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","236152","2020-10-21","18:00:00",""
"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","236155","2020-10-21","18:00:00",""
"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","236155","2020-10-21","18:00:00",""
"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","236157","2020-10-21","18:00:00",""
"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","","","","- C3.8 H2.8 Br0.2 N0.2 O0.4 -","- C3.8 H2.8 Br0.2 N0.2 O0.4 -","- C76 H56 Br4 N4 O8 -","20","5","","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","236159","2020-10-21","18:00:00",""
"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","","","","- C2.44 H1.78 N0.22 O0.22 -","- C2.44444 H1.77778 N0.222222 O0.222222 -","- C44 H32 N4 O4 -","18","9","","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","236159","2020-10-21","18:00:00",""
"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","236161","2020-10-21","18:00:00",""
"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","236163","2020-10-21","18:00:00",""
"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","236165","2020-10-21","18:00:00",""
"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","236167","2020-10-21","18:00:00",""
"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","236167","2020-10-21","18:00:00",""
"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","236167","2020-10-21","18:00:00",""
"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","236167","2020-10-21","18:00:00",""
"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","236167","2020-10-21","18:00:00",""
"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","236169","2020-10-21","18:00:00",""
"1553925","24.106","0.003","8.4201","0.001","20.584","0.002","90","","90","","90","","4178","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Cao, Bo; Wei, Yin; Shi, Min","Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons","Organic Chemistry Frontiers","2018","5","3","423","","10.1039/C7QO00882A","","","0.71073","MoKα","","0.1417","0.0743","","","0.1769","0.2014","","","","","","0.846","","","","has coordinates","274176","2022-03-31","10:10:26",""
"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","236169","2020-10-21","18:00:00",""
"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","236169","2020-10-21","18:00:00",""
"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","236172","2020-10-21","18:00:00",""
"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","236172","2020-10-21","18:00:00",""
"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","236172","2020-10-21","18:00:00",""
"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","236172","2020-10-21","18:00:00",""
"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","236174","2020-10-21","18:00:00",""
"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","236176","2020-10-21","18:00:00",""
"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","236182","2020-10-21","18:00:00",""
"1553939","8.8464","0.0004","13.6195","0.0006","30.1026","0.0012","90","","90","","90","","3626.9","0.3","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Si -","- C22 H22 Si -","- C176 H176 Si8 -","8","1","","Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng","Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)‒Si bond cleavage","Organic Chemistry Frontiers","2018","5","5","860","","10.1039/C7QO00927E","","x-ray","0.71073","MoKα","","0.04","0.0365","","","0.0977","0.1005","","","","","","1.034","","","","has coordinates","236184","2020-10-21","18:00:00",""
"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","236184","2020-10-21","18:00:00",""
"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","236186","2020-10-21","18:00:00",""
"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","236188","2020-10-21","18:00:00",""
"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","236189","2020-10-21","18:00:00",""
"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","236191","2020-10-21","18:00:00",""
"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","236193","2020-10-21","18:00:00",""
"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","236195","2020-10-21","18:00:00",""
"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","275434","2022-05-16","05:31:57",""
"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","236199","2020-10-21","18:00:00",""
"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","236200","2020-10-21","18:00:00",""
"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","236200","2020-10-21","18:00:00",""
"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","236200","2020-10-21","18:00:00",""
"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","236202","2020-10-21","18:00:00",""
"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","236202","2020-10-21","18:00:00",""
"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","236204","2020-10-21","18:00:00",""
"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","236208","2020-10-21","18:00:00",""
"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","236210","2020-10-21","18:00:00",""
"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","236212","2020-10-21","18:00:00",""
"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","236214","2020-10-21","18:00:00",""
"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","236218","2020-10-21","18:00:00",""
"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","236218","2020-10-21","18:00:00",""
"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","236222","2020-10-21","18:00:00",""
"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","236222","2020-10-21","18:00:00",""
"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","236224","2020-10-21","18:00:00",""
"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","236225","2020-10-21","18:00:00",""
"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","236225","2020-10-21","18:00:00",""
"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","236227","2020-10-21","18:00:00",""
"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","236229","2020-10-21","18:00:00",""
"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","236231","2020-10-21","18:00:00",""
"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","236231","2020-10-21","18:00:00",""
"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","236231","2020-10-21","18:00:00",""
"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","237067","2020-10-21","18:00:00",""
"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","237068","2020-10-21","18:00:00",""
"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","237071","2020-10-21","18:00:00",""
"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","237071","2020-10-21","18:00:00",""
"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","237073","2020-10-21","18:00:00",""
"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","237075","2020-10-21","18:00:00",""
"1554260","5.565","0.001","17.417","0.006","19.97","0.005","90","","90","","90","","1935.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-amine","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.0728","0.0429","","","0.102","0.1167","","","","","","1.1","","","","has coordinates","237075","2020-10-21","18:00:00",""
"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","237075","2020-10-21","18:00:00",""
"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","237075","2020-10-21","18:00:00",""
"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","237075","2020-10-21","18:00:00",""
"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","237075","2020-10-21","18:00:00",""
"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","237075","2020-10-21","18:00:00",""
"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","237075","2020-10-21","18:00:00",""
"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","237078","2020-10-21","18:00:00",""
"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","237078","2020-10-21","18:00:00",""
"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","237081","2020-10-21","18:00:00",""
"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","237081","2020-10-21","18:00:00",""
"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","237081","2020-10-21","18:00:00",""
"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","237090","2020-10-21","18:00:00",""
"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","237093","2020-10-21","18:00:00",""
"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","237093","2020-10-21","18:00:00",""
"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","237093","2020-10-21","18:00:00",""
"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","237093","2020-10-21","18:00:00",""
"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","237095","2020-10-21","18:00:00",""
"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","237095","2020-10-21","18:00:00",""
"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","237095","2020-10-21","18:00:00",""
"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","237095","2020-10-21","18:00:00",""
"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","","","","- C3.93 H3.28 Br0.13 N0.26 O0.26 -","- C3.93443 H3.27869 Br0.131148 N0.262295 O0.262295 -","- C240 H200 Br8 N16 O16 -","61","15.25","","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","237097","2020-10-21","18:00:00",""
"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","237098","2020-10-21","18:00:00",""
"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","237099","2020-10-21","18:00:00",""
"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","237103","2020-10-21","18:00:00",""
"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","237103","2020-10-21","18:00:00",""
"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","237103","2020-10-21","18:00:00",""
"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","237105","2020-10-21","18:00:00",""
"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","237105","2020-10-21","18:00:00",""
"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","237107","2020-10-21","18:00:00",""
"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","237107","2020-10-21","18:00:00",""
"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","237108","2020-10-21","18:00:00",""
"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","237108","2020-10-21","18:00:00",""
"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","237110","2020-10-21","18:00:00",""
"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","237111","2020-10-21","18:00:00",""
"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","237113","2020-10-21","18:00:00",""
"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","237115","2020-10-21","18:00:00",""
"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","237116","2020-10-21","18:00:00",""
"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","237118","2020-10-21","18:00:00",""
"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","237120","2020-10-21","18:00:00",""
"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","237120","2020-10-21","18:00:00",""
"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","237122","2020-10-21","18:00:00",""
"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","237124","2020-10-21","18:00:00",""
"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","237126","2020-10-21","18:00:00",""
"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","237126","2020-10-21","18:00:00",""
"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","237126","2020-10-21","18:00:00",""
"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","237128","2020-10-21","18:00:00",""
"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","237128","2020-10-21","18:00:00",""
"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","237128","2020-10-21","18:00:00",""
"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","275856","2022-06-07","07:08:27",""
"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","275434","2022-05-16","05:31:57",""
"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","237130","2020-10-21","18:00:00",""
"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","237130","2020-10-21","18:00:00",""
"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","237132","2020-10-21","18:00:00",""
"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","237132","2020-10-21","18:00:00",""
"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","237134","2020-10-21","18:00:00",""
"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","","","","- C11 H10 Cl0.07 Fe N O -","- C9.06667 H9.06667 Cl0.8 Fe0.266667 N0.8 O1.06667 -","- C136 H136 Cl12 Fe4 N12 O16 -","15","3.75","","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","237136","2020-10-21","18:00:00",""
"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","237138","2020-10-21","18:00:00",""
"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","237138","2020-10-21","18:00:00",""
"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","237138","2020-10-21","18:00:00",""
"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","237138","2020-10-21","18:00:00",""
"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","237138","2020-10-21","18:00:00",""
"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","237138","2020-10-21","18:00:00",""
"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","237138","2020-10-21","18:00:00",""
"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","237140","2020-10-21","18:00:00",""
"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","237143","2020-10-21","18:00:00",""
"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","237143","2020-10-21","18:00:00",""
"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","237146","2020-10-21","18:00:00",""
"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","237146","2020-10-21","18:00:00",""
"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","237149","2020-10-21","18:00:00",""
"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","237149","2020-10-21","18:00:00",""
"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","237151","2020-10-21","18:00:00",""
"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","237153","2020-10-21","18:00:00",""
"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","237153","2020-10-21","18:00:00",""
"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","237154","2020-10-21","18:00:00",""
"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","237156","2020-10-21","18:00:00",""
"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","237159","2020-10-21","18:00:00",""
"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","237160","2020-10-21","18:00:00",""
"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","237161","2020-10-21","18:00:00",""
"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","237164","2020-10-21","18:00:00",""
"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","237166","2020-10-21","18:00:00",""
"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","237167","2020-10-21","18:00:00",""
"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","237169","2020-10-21","18:00:00",""
"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","237169","2020-10-21","18:00:00",""
"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","237171","2020-10-21","18:00:00",""
"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","237171","2020-10-21","18:00:00",""
"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","237171","2020-10-21","18:00:00",""
"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","237175","2020-10-21","18:00:00",""
"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","237176","2020-10-21","18:00:00",""
"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","237180","2020-10-21","18:00:00",""
"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","","","","- C25 H33 Mg N2 -","- C25 H33 Mg N2 -","- C200 H264 Mg8 N16 -","8","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0853","0.0641","","","0.181","0.1988","","","","","","1.024","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554383","21.9804","0.0013","19.3508","0.0011","11.283","0.0007","90","","90","","90","","4799.1","0.5","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H33 Mg N2 -","- C25 H33 Mg N2 -","- C200 H264 Mg8 N16 -","8","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1069","0.0662","","","0.0993","0.1125","","","","","","1.157","","","","has coordinates","237180","2020-10-21","18:00:00",""
"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","237180","2020-10-21","18:00:00",""
"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","237180","2020-10-21","18:00:00",""
"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","237180","2020-10-21","18:00:00",""
"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","237180","2020-10-21","18:00:00",""
"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","237180","2020-10-21","18:00:00",""
"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","","","","- C26 H35 Mg N2 -","- C26 H35 Mg N2 -","- C416 H560 Mg16 N32 -","16","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1431","0.1024","","","0.1999","0.2137","","","","","","1.236","","","","has coordinates","237180","2020-10-21","18:00:00",""
"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","237183","2020-10-21","18:00:00",""
"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","237189","2020-10-21","18:00:00",""
"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","237191","2020-10-21","18:00:00",""
"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","237191","2020-10-21","18:00:00",""
"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","237191","2020-10-21","18:00:00",""
"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","237194","2020-10-21","18:00:00",""
"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","237198","2020-10-21","18:00:00",""
"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","237200","2020-10-21","18:00:00",""
"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","237202","2020-10-21","18:00:00",""
"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","237204","2020-10-21","18:00:00",""
"1554408","7.5983","0.0003","16.424","0.0007","20.8458","0.0008","90","","90","","90","","2601.44","0.18","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 5-(5-bromo-2-hydroxybenzoyl) nicotinate","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C112 H80 Br8 N8 O32 -","8","1","","Maezono, Shizuka Mei Bautista; Kim, Sung Hong; Lee, Yong Rok","Copper-catalyzed [3 + 2 + 1] annulation for functionalized pyridines as potent and dynamic UV absorbers","Organic Chemistry Frontiers","2018","5","23","3368","","10.1039/C8QO00782A","","","0.71073","MoKα","","0.0345","0.0252","","","0.0607","0.0658","","","","","","1.055","","","","has coordinates","237206","2020-10-21","18:00:00",""
"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","237208","2020-10-21","18:00:00",""
"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","237209","2020-10-21","18:00:00",""
"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","237209","2020-10-21","18:00:00",""
"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","237211","2020-10-21","18:00:00",""
"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","237213","2020-10-21","18:00:00",""
"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","237214","2020-10-21","18:00:00",""
"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","237217","2020-10-21","18:00:00",""
"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","237219","2020-10-21","18:00:00",""
"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","237219","2020-10-21","18:00:00",""
"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","237219","2020-10-21","18:00:00",""
"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","237223","2020-10-21","18:00:00",""
"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","237223","2020-10-21","18:00:00",""
"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","237226","2020-10-21","18:00:00",""
"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","237226","2020-10-21","18:00:00",""
"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","237227","2020-10-21","18:00:00",""
"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","237229","2020-10-21","18:00:00",""
"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","237229","2020-10-21","18:00:00",""
"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","237230","2020-10-21","18:00:00",""
"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","237230","2020-10-21","18:00:00",""
"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","237232","2020-10-21","18:00:00",""
"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","237232","2020-10-21","18:00:00",""
"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","237232","2020-10-21","18:00:00",""
"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","237232","2020-10-21","18:00:00",""
"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","237234","2020-10-21","18:00:00",""
"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","237236","2020-10-21","18:00:00",""
"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","237239","2020-10-21","18:00:00",""
"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","237239","2020-10-21","18:00:00",""
"1554445","16.6717","0.0015","10.051","0.002","14.516","0.006","90","","90","","90","","2432.4","1.1","172.99","0.1","172.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H29 Br Co P S -","- C28 H29 Br Co P S -","- C112 H116 Br4 Co4 P4 S4 -","4","1","","Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives","Organic Chemistry Frontiers","2018","5","20","2997","","10.1039/C8QO00887F","","x-ray","0.71073","MoKα","","0.0588","0.048","","","0.0977","0.1016","","","","","","1.044","","","","has coordinates","237239","2020-10-21","18:00:00",""
"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","237244","2020-10-21","18:00:00",""
"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","237247","2020-10-21","18:00:00",""
"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","237247","2020-10-21","18:00:00",""
"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","237247","2020-10-21","18:00:00",""
"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","237249","2020-10-21","18:00:00",""
"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","237249","2020-10-21","18:00:00",""
"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","237249","2020-10-21","18:00:00",""
"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","237249","2020-10-21","18:00:00",""
"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","237249","2020-10-21","18:00:00",""
"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","237251","2020-10-21","18:00:00",""
"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","237251","2020-10-21","18:00:00",""
"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","237251","2020-10-21","18:00:00",""
"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","237256","2020-10-21","18:00:00",""
"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","237256","2020-10-21","18:00:00",""
"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","237256","2020-10-21","18:00:00",""
"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","237258","2020-10-21","18:00:00",""
"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","237259","2020-10-21","18:00:00",""
"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","237259","2020-10-21","18:00:00",""
"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","237261","2020-10-21","18:00:00",""
"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","237261","2020-10-21","18:00:00",""
"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","237264","2020-10-21","18:00:00",""
"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","237268","2020-10-21","18:00:00",""
"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","237270","2020-10-21","18:00:00",""
"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","237275","2020-10-21","18:00:00",""
"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","237276","2020-10-21","18:00:00",""
"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","288219","2023-12-11","21:40:11",""
"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","243467","2020-10-21","18:00:00",""
"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","243468","2020-10-21","18:00:00",""
"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","243468","2020-10-21","18:00:00",""
"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","244980","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244994","2020-10-21","18:00:00",""
"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","244995","2020-10-21","18:00:00",""
"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","244995","2020-10-21","18:00:00",""
"1556511","20.4142","0.0004","22.2202","0.0004","39.3523","0.0007","90","","90","","90","","17850.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H104 I4 Mg3 N6 -","- C90 H104 I4 Mg3 N6 -","- C720 H832 I32 Mg24 N48 -","8","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.2154","0.0411","","","0.047","0.0665","","","","","","0.653","","","","has coordinates","244995","2020-10-21","18:00:00",""
"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","244995","2020-10-21","18:00:00",""
"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","244996","2020-10-21","18:00:00",""
"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","245016","2020-10-21","18:00:00",""
"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","245046","2020-10-21","18:00:00",""
"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","245046","2020-10-21","18:00:00",""
"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","245048","2020-10-21","18:00:00",""
"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","247338","2020-10-21","18:00:00",""
"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","247339","2020-10-21","18:00:00",""
"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","247340","2020-10-21","18:00:00",""
"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","247341","2020-10-21","18:00:00",""
"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","247444","2020-10-21","18:00:00",""
"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","247446","2020-10-21","18:00:00",""
"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","247886","2020-10-21","18:00:00",""
"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","247947","2020-10-21","18:00:00",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","248070","2020-10-21","18:00:00",""
"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","","","10.1107/S2414314620001650","","","0.71073","MoKα","","0.0895","0.0731","","","0.2175","0.2742","","","","","","1.221","","","","has coordinates,has Fobs","248071","2020-10-21","18:00:00",""
"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","248072","2020-10-21","18:00:00",""
"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","248073","2020-10-21","18:00:00",""
"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","248074","2020-10-21","18:00:00",""
"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","248211","2020-10-21","18:00:00",""
"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","248212","2020-10-21","18:00:00",""
"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","248400","2020-10-21","18:00:00",""
"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","248401","2020-10-21","18:00:00",""
"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","248402","2020-10-21","18:00:00",""
"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","248571","2020-10-21","18:00:00",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","248737","2020-10-21","18:00:00",""
"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","249118","2020-10-21","18:00:00",""
"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","249119","2020-10-21","18:00:00",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","249120","2020-10-21","18:00:00",""
"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","249276","2020-10-21","18:00:00",""
"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","249391","2020-10-21","18:00:00",""
"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","","","10.1107/S241431462000382X","","","1.54184","CuKα","","0.0485","0.043","","","0.1069","0.1144","","","","","","1.041","","","","has coordinates,has Fobs","249477","2020-10-21","18:00:00",""
"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","","","10.1107/S2414314620003727","","","0.71073","MoKα","","0.0838","0.0434","","","0.0989","0.1104","","","","","","0.989","","","","has coordinates,has Fobs","249478","2020-10-21","18:00:00",""
"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","","","10.1107/S2414314620003855","","","0.71073","MoKα","","0.0688","0.0495","","","0.1522","0.1795","","","","","","1.156","","","","has coordinates,has Fobs","249823","2020-10-21","18:00:00",""
"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","249911","2020-10-21","18:00:00",""
"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","250494","2020-10-21","18:00:00",""
"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","250496","2020-10-21","18:00:00",""
"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","","","10.1107/S2414314620004988","","","0.71073","MoKα","","0.0598","0.0408","","","0.0941","0.1057","","","","","","1.05","","","","has coordinates,has Fobs","250923","2020-10-21","18:00:00",""
"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","251012","2020-10-21","18:00:00",""
"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","251360","2020-10-21","18:00:00",""
"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","251361","2020-10-21","18:00:00",""
"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","251892","2020-10-21","18:00:00",""
"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","252209","2020-10-21","18:00:00",""
"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","252490","2020-10-21","18:00:00",""
"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","252491","2020-10-21","18:00:00",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","253063","2020-10-21","18:00:00",""
"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","253149","2020-10-21","18:00:00",""
"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","253204","2020-10-21","18:00:00",""
"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","253205","2020-10-21","18:00:00",""
"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","","","10.1107/S2414314620007968","","","0.71073","MoKα","","0.0289","0.0251","","","0.0614","0.0637","","","","","","1.052","","","","has coordinates,has Fobs","253294","2020-10-21","18:00:00",""
"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","253516","2020-10-21","18:00:00",""
"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","253607","2020-10-21","18:00:00",""
"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","254208","2020-10-21","18:00:00",""
"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","254209","2020-10-21","18:00:00",""
"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","254210","2020-10-21","18:00:00",""
"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","254211","2020-10-21","18:00:00",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"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","254398","2020-10-21","18:00:00",""
"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","254477","2020-10-21","18:00:00",""
"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","254478","2020-10-21","18:00:00",""
"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","254647","2020-10-21","18:00:00",""
"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","254734","2020-10-21","18:00:00",""
"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","255165","2020-10-21","18:00:00",""
"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","255207","2020-10-21","18:00:00",""
"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","255258","2020-10-21","18:00:00",""
"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","255259","2020-10-21","18:00:00",""
"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","255748","2020-10-21","18:00:00",""
"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","256244","2020-10-21","18:00:00",""
"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","256245","2020-10-21","18:00:00",""
"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","256246","2020-10-21","18:00:00",""
"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","256248","2020-10-21","18:00:00",""
"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","256249","2020-10-21","18:00:00",""
"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","256388","2020-10-21","18:00:00",""
"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","256454","2020-10-21","18:00:00",""
"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","256455","2020-10-21","18:00:00",""
"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","256562","2020-10-21","18:00:00",""
"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","256800","2020-10-21","18:00:00",""
"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","256801","2020-10-21","18:00:00",""
"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","","","10.1107/S2414314620013024","","","0.71073","MoKα","","0.0371","0.0337","","","0.0851","0.0871","","","","","","1.147","","","","has coordinates,has Fobs","256882","2020-10-21","18:00:00",""
"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","","","10.1107/S2414314620012924","","","0.71075","MoKα","","0.0298","0.027","","","0.0736","0.0751","","","","","","1.053","","","","has coordinates,has Fobs","256883","2020-10-21","18:00:00",""
"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","258303","2020-10-21","18:00:00",""
"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","258304","2020-10-21","18:00:00",""
"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","258363","2020-10-21","18:00:00",""
"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","258520","2020-10-21","05:24:37",""
"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","258592","2020-10-24","04:23:18",""
"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","258593","2020-10-24","04:23:41",""
"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","","","10.1107/S2414314620014121","","","0.71073","MoKα","","0.0851","0.0444","","","0.0712","0.0809","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","258621","2020-10-28","05:34:13",""
"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","258664","2020-10-31","05:46:23",""
"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","259032","2020-11-07","05:33:31",""
"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","259164","2020-11-18","05:22:42",""
"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","259214","2020-11-21","05:37:01",""
"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","259246","2020-11-25","05:35:58",""
"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","259273","2020-11-28","05:32:07",""
"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","259558","2020-12-05","05:47:04",""
"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","259834","2020-12-12","06:03:27",""
"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","259835","2020-12-12","06:04:21",""
"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","259836","2020-12-12","06:04:51",""
"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","260019","2020-12-19","06:56:33",""
"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","260117","2020-12-23","06:30:04",""
"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","260118","2020-12-23","06:30:24",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","260119","2020-12-23","06:30:58",""
"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","260149","2020-12-25","05:40:25",""
"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","189486","2020-10-21","18:00:00",""
"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","211196","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","189486","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","178476","2020-10-21","18:00:00",""
"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","178476","2020-10-21","18:00:00",""
"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","178476","2020-10-21","18:00:00",""
"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","178476","2020-10-21","18:00:00",""
"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","178476","2020-10-21","18:00:00",""
"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","178476","2020-10-21","18:00:00",""
"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","237216","2020-10-21","18:00:00",""
"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","237216","2020-10-21","18:00:00",""
"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","237280","2020-10-21","18:00:00",""
"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","235793","2020-10-21","18:00:00",""
"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","235837","2020-10-21","18:00:00",""
"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","235837","2020-10-21","18:00:00",""
"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","235837","2020-10-21","18:00:00",""
"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","235850","2020-10-21","18:00:00",""
"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","235850","2020-10-21","18:00:00",""
"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","235850","2020-10-21","18:00:00",""
"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","235850","2020-10-21","18:00:00",""
"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","235871","2020-10-21","18:00:00",""
"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","255805","2020-10-21","18:00:00",""
"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","236887","2020-10-21","18:00:00",""
"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","236897","2020-10-21","18:00:00",""
"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","236897","2020-10-21","18:00:00",""
"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","236897","2020-10-21","18:00:00",""
"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","236925","2020-10-21","18:00:00",""
"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","236925","2020-10-21","18:00:00",""
"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","236925","2020-10-21","18:00:00",""
"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","236925","2020-10-21","18:00:00",""
"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","236925","2020-10-21","18:00:00",""
"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","236966","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","179531","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","179583","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","210354","2020-10-21","18:00:00",""
"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","210354","2020-10-21","18:00:00",""
"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","210354","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","179584","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"4505001","13.1347","0.0016","10.912","0.002","12.203","0.002","90","","90","","90","","1749","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-aminopyridinium 4-nitrophenolate . 4-nitrophenol ?","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Salts of 4-Nitrophenolate with H-Bonded Helical Formations: Structure-Directing Role ofortho-Aminopyridines","Crystal Growth & Design","2005","5","2","721","","10.1021/cg049763e","","","0.71073","MoKα","","0.1222","0.0447","","","0.1153","0.1154","","","","","","0.961","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505002","13.6129","0.0014","10.9042","0.0011","12.0323","0.0012","90","","90","","90","","1786","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,6-diaminopyridinium 4-nitrophenolate . 4-nitrophenol ?","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C68 H68 N20 O24 -","4","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Salts of 4-Nitrophenolate with H-Bonded Helical Formations: Structure-Directing Role ofortho-Aminopyridines","Crystal Growth & Design","2005","5","2","721","","10.1021/cg049763e","","","0.71073","MoKα","","0.0694","0.0415","","","0.1247","0.1247","","","","","","0.857","","","","has coordinates","179585","2020-10-21","18:00:00",""
"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","271475","2021-12-16","11:44:44",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","179585","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"4505155","15.597","0.003","21.361","0.004","7.6072","0.0013","90","","90","","90","","2534.5","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H26 N8 O12 S2 -","- C16 H18 N8 O12 S2 -","- C64 H72 N32 O48 S8 -","4","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.7107","MoKα","","0.0524","0.0461","","","0.1326","0.1373","","","","","","1.045","","","","has coordinates","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","179586","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","176467","2020-10-21","18:00:00",""
"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","179587","2020-10-21","18:00:00",""
"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","179607","2020-10-21","18:00:00",""
"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","179607","2020-10-21","18:00:00",""
"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","201982","2020-10-21","18:00:00",""
"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","179610","2020-10-21","18:00:00",""
"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","179610","2020-10-21","18:00:00",""
"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","179610","2020-10-21","18:00:00",""
"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","179614","2020-10-21","18:00:00",""
"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","179619","2020-10-21","18:00:00",""
"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","179622","2020-10-21","18:00:00",""
"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","179647","2020-10-21","18:00:00",""
"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","179662","2020-10-21","18:00:00",""
"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","179662","2020-10-21","18:00:00",""
"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","179662","2020-10-21","18:00:00",""
"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","179662","2020-10-21","18:00:00",""
"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","179663","2020-10-21","18:00:00",""
"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","179665","2020-10-21","18:00:00",""
"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","179671","2020-10-21","18:00:00",""
"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","179671","2020-10-21","18:00:00",""
"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","179671","2020-10-21","18:00:00",""
"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","179671","2020-10-21","18:00:00",""
"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","179671","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","296814","2024-12-10","08:46:16",""
"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","179676","2020-10-21","18:00:00",""
"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","179676","2020-10-21","18:00:00",""
"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","179676","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","140056","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","140055","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","140055","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","154541","2020-10-21","18:00:00",""
"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","154541","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","159576","2020-10-21","18:00:00",""
"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","159577","2020-10-21","18:00:00",""
"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","219793","2020-10-21","18:00:00",""
"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","219794","2020-10-21","18:00:00",""
"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","220278","2020-10-21","18:00:00",""
"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","255262","2020-10-21","18:00:00",""
"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","239435","2020-10-21","18:00:00",""
"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","239436","2020-10-21","18:00:00",""
"4516660","15.896","0.003","8.7193","0.0014","25.283","0.004","90","","90","","90","","3504.3","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H15 Cl F3 N O5 -","- C17 H15 Cl F3 N O5 -","- C136 H120 Cl8 F24 N8 O40 -","8","2","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0499","0.0418","","","0.1156","0.1221","","","","","","1.04","","","","has coordinates","239437","2020-10-21","18:00:00",""
"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","239439","2020-10-21","18:00:00",""
"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","239446","2020-10-21","18:00:00",""
"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","239450","2020-10-21","18:00:00",""
"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","239451","2020-10-21","18:00:00",""
"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","239452","2020-10-21","18:00:00",""
"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","239453","2020-10-21","18:00:00",""
"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","239454","2020-10-21","18:00:00",""
"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","239455","2020-10-21","18:00:00",""
"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","239456","2020-10-21","18:00:00",""
"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","239458","2020-10-21","18:00:00",""
"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","239459","2020-10-21","18:00:00",""
"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","239462","2020-10-21","18:00:00",""
"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","239553","2020-10-21","18:00:00",""
"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","239691","2020-10-21","18:00:00",""
"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","239696","2020-10-21","18:00:00",""
"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","239699","2020-10-21","18:00:00",""
"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","239699","2020-10-21","18:00:00",""
"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","239699","2020-10-21","18:00:00",""
"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","239699","2020-10-21","18:00:00",""
"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","258458","2020-10-21","18:00:00",""
"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","257080","2020-10-21","18:00:00",""
"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","257080","2020-10-21","18:00:00",""
"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","248692","2020-10-21","18:00:00",""
"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","248692","2020-10-21","18:00:00",""
"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","257081","2020-10-21","18:00:00",""
"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","248697","2020-10-21","18:00:00",""
"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","248696","2020-10-21","18:00:00",""
"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","248694","2020-10-21","18:00:00",""
"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","248694","2020-10-21","18:00:00",""
"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","248694","2020-10-21","18:00:00",""
"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","248694","2020-10-21","18:00:00",""
"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","248694","2020-10-21","18:00:00",""
"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","248693","2020-10-21","18:00:00",""
"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","257066","2020-10-21","18:00:00",""
"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","257078","2020-10-21","18:00:00",""
"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","257076","2020-10-21","18:00:00",""
"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","251426","2020-10-21","18:00:00",""
"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","251426","2020-10-21","18:00:00",""
"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","251431","2020-10-21","18:00:00",""
"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","251427","2020-10-21","18:00:00",""
"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","251430","2020-10-21","18:00:00",""
"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","","","","- C16 H8 N28 O14 -","- C16 H8 N28 O14 -","- C64 H32 N112 O56 -","4","1","","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","252590","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","252592","2020-10-21","18:00:00",""
"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","","","","- C30 H32 O20 -","- C30 H31 O20 -","- C120 H124 O80 -","4","1","","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","253721","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253720","2020-10-21","18:00:00",""
"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","253714","2020-10-21","18:00:00",""
"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","253714","2020-10-21","18:00:00",""
"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","253713","2020-10-21","18:00:00",""
"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","257067","2020-10-21","18:00:00",""
"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","257069","2020-10-21","18:00:00",""
"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","257069","2020-10-21","18:00:00",""
"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","254767","2020-10-21","18:00:00",""
"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","254767","2020-10-21","18:00:00",""
"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","254764","2020-10-21","18:00:00",""
"4517841","9.3176","0.0007","5.2878","0.0004","14.2479","0.0013","90","","90","","90","","701.99","0.1","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","7-Methylindole","","- C9 H9 N -","- C9 H9 N -","- C36 H36 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0566","0.0389","","","0.0784","0.089","","","","","","1.074","","","","has coordinates,has disorder","254764","2020-10-21","18:00:00",""
"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","254764","2020-10-21","18:00:00",""
"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","254764","2020-10-21","18:00:00",""
"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","254764","2020-10-21","18:00:00",""
"4517846","8.452","0.0003","10.5415","0.0004","7.3742","0.0003","90","","90","","90","","657.02","0.04","100","2","100","0.01","","","","","","","","3","P n a 21","P 2c -2n","33","","5-aminoindole","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.036","0.034","","","0.089","0.0911","","","","","","1.043","","","","has coordinates","254764","2020-10-21","18:00:00",""
"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","257062","2020-10-21","18:00:00",""
"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","255859","2020-10-21","18:00:00",""
"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","255863","2020-10-21","18:00:00",""
"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","257072","2020-10-21","18:00:00",""
"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","255860","2020-10-21","18:00:00",""
"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","255861","2020-10-21","18:00:00",""
"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","255861","2020-10-21","18:00:00",""
"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","257073","2020-10-21","18:00:00",""
"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","257063","2020-10-21","18:00:00",""
"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","257063","2020-10-21","18:00:00",""
"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","257063","2020-10-21","18:00:00",""
"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","257063","2020-10-21","18:00:00",""
"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","257063","2020-10-21","18:00:00",""
"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","","","","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","1","0.5","","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","257064","2020-10-21","18:00:00",""
"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","","","","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","1","0.5","","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","257064","2020-10-21","18:00:00",""
"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","","","","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","- C24 H32 N4 O10 S2 -","1","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","","0.0345","0.0343","","","0.0943","0.0945","","","","","","1.029","","","","has coordinates","257074","2020-10-21","18:00:00",""
"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","257074","2020-10-21","18:00:00",""
"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","258703","2020-11-04","01:18:01",""
"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","258703","2020-11-04","01:18:03",""
"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","","","","- C1.97 H2.67 N0.25 O0.44 -","- C1.96825 H2.66667 N0.253968 O0.444444 -","- C124 H168 N16 O28 -","63","15.75","","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","258703","2020-11-04","01:18:03",""
"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","258704","2020-11-04","01:18:12",""
"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","258701","2020-11-04","01:17:07",""
"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","258702","2020-11-04","01:17:18",""
"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","258702","2020-11-04","01:17:26",""
"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","","","","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C96 H108 Cl8 F24 N2 O4 P4 Rh2 S2 Sb4 -","- C192 H216 Cl16 F48 N4 O8 P8 Rh4 S4 Sb8 -","2","1","","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","258700","2020-11-04","01:16:57",""
"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","","","","- C95 H110 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C95 H106 Cl6 F24 Ir2 N2 O6 P4 S2 Sb4 -","- C190 H212 Cl12 F48 Ir4 N4 O12 P8 S4 Sb8 -","2","1","","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","258700","2020-11-04","01:16:58",""
"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","258699","2020-11-04","01:16:40",""
"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","258699","2020-11-04","01:16:41",""
"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","","","","- C18 H16 N2 O11 S2 -","- C18 H16 N2 O11 S2 -","- C36 H32 N4 O22 S4 -","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","0.71069","MoKα","","0.0425","0.0388","","","0.0749","0.0766","","","","1.08","1.08","1.09","","","","has coordinates","258699","2020-11-04","01:16:41",""
"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","259512","2020-12-04","02:15:07",""
"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","","","","- C89 H134 Cl4 N14 O16 -","- C89 H134 Cl4 N14 O16 -","- C178 H268 Cl8 N28 O32 -","2","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","","0.0549","0.0335","","","0.0854","0.0895","","","","","","1.026","","","","has coordinates","259511","2020-12-04","02:14:59",""
"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","259505","2020-12-04","02:13:33",""
"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","259506","2020-12-04","02:13:46",""
"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","259509","2020-12-04","02:14:24",""
"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","259509","2020-12-04","02:14:24",""
"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","260414","2021-01-04","03:05:51",""
"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","260414","2021-01-04","03:05:51",""
"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","260411","2021-01-04","03:04:25",""
"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",""
"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","180235","2020-10-21","18:00:00",""
"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","180244","2020-10-21","18:00:00",""
"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","180246","2020-10-21","18:00:00",""
"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","180247","2020-10-21","18:00:00",""
"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","180247","2020-10-21","18:00:00",""
"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","180247","2020-10-21","18:00:00",""
"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","180266","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"7151086","16.939","0.003","12.274","0.002","8.5993","0.0015","90","","90","","90","","1787.9","0.5","423","2","423","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0906","0.0579","","","0.1256","0.1411","","","","","","0.816","","","","has coordinates","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180296","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","209484","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","180297","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","205752","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","275182","2022-05-07","01:28:21",""
"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 catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0471","0.033","","","0.0819","0.0875","","","","","","1.02","","","","has coordinates","180377","2020-10-21","18:00:00",""
"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 catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0416","0.0369","","","0.099","0.1044","","","","","","1.089","","","","has coordinates","194607","2020-10-21","18:00:00",""
"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 catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0617","0.0419","","","0.0955","0.1054","","","","","","1.055","","","","has coordinates,has disorder","194607","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180378","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","180378","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","180381","2020-10-21","18:00:00",""
"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","288183","2023-12-08","14:43:01",""
"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","","1919","1925","10.1039/jm9950501919","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","180494","2020-10-21","18:00:00",""
"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","180521","2020-10-21","18:00:00",""
"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","180522","2020-10-21","18:00:00",""
"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","180523","2020-10-21","18:00:00",""
"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","180523","2020-10-21","18:00:00",""
"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","288505","2023-12-22","15:12:04",""
"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","288505","2023-12-22","15:12:04",""
"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","180524","2020-10-21","18:00:00",""
"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","180524","2020-10-21","18:00:00",""
"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","180525","2020-10-21","18:00:00",""
"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","180525","2020-10-21","18:00:00",""
"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","180525","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","180525","2020-10-21","18:00:00",""
"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","180525","2020-10-21","18:00:00",""
"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","180525","2020-10-21","18:00:00",""
"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","180526","2020-10-21","18:00:00",""
"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","180526","2020-10-21","18:00:00",""
"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","180526","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","198632","2020-10-21","18:00:00",""
"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; 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","","0.0966","0.059","","","0.1169","0.1361","","","","","","1.103","","","","has coordinates","180530","2020-10-21","18:00:00",""
"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","180530","2020-10-21","18:00:00",""
"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","180530","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","180530","2020-10-21","18:00:00",""
"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","135719","2020-10-21","18:00:00",""
"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","135722","2020-10-21","18:00:00",""
"7220162","20.4342","0.0009","7.8263","0.0003","13.0107","0.0007","90","","90","","90","","2080.73","0.17","293","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H10 Cl3 Eu N6 O6 -","- C10 H10 Cl3 Eu N6 O6 -","- C40 H40 Cl12 Eu4 N24 O24 -","4","1","","Machado, Kelly; Mukhopadhyay, Suman; Videira, Romeu A.; Mishra, Jaya; Mobin, Shaikh M.; Mishra, Gopal S.","Polymer encapsulated scorpionate Eu3+complexes as novel hybrid materials for high performance luminescence applications","RSC Adv.","2015","5","45","35675","","10.1039/C5RA02866C","","","0.71073","MoKα","","0.0515","0.0425","","","0.1033","0.1132","","","","","","1.089","","","","has coordinates","135738","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","218753","2020-10-21","18:00:00",""
"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","136945","2020-10-21","18:00:00",""
"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","137032","2020-10-21","18:00:00",""
"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","137032","2020-10-21","18:00:00",""
"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","137032","2020-10-21","18:00:00",""
"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","137198","2020-10-21","18:00:00",""
"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","137198","2020-10-21","18:00:00",""
"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","137273","2020-10-21","18:00:00",""
"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","137273","2020-10-21","18:00:00",""
"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","137273","2020-10-21","18:00:00",""
"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","137491","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","137893","2020-10-21","18:00:00",""
"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","139125","2020-10-21","18:00:00",""
"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","139641","2020-10-21","18:00:00",""
"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","139720","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"7221557","9.2889","0.0019","17.158","0.003","11.652","0.002","90","","90","","90","","1857.1","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2h","","- C19 H29 N O2 S -","- C19 H29 N O2 S -","- C76 H116 N4 O8 S4 -","4","1","","Yang, Chun-Hua; Fan, Wen-Wen; Liu, Gong-Qing; Duan, Lili; Li, Lin; Li, Yue-Ming","On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins","RSC Adv.","2015","5","75","61081","","10.1039/C5RA10513G","","","0.71073","MoKα","","0.0585","0.0441","","","0.0986","0.1084","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","152332","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","152332","2020-10-21","18:00:00",""
"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","152612","2020-10-21","18:00:00",""
"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","152612","2020-10-21","18:00:00",""
"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","152612","2020-10-21","18:00:00",""
"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","152612","2020-10-21","18:00:00",""
"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","206958","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","153450","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","153517","2020-10-21","18:00:00",""
"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","153540","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","153543","2020-10-21","18:00:00",""
"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","153543","2020-10-21","18:00:00",""
"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","153788","2020-10-21","18:00:00",""
"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","153788","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","155873","2020-10-21","18:00:00",""
"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","193656","2020-10-21","18:00:00",""
"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","156724","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176429","2020-10-21","18:00:00",""
"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","158302","2020-10-21","18:00:00",""
"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","159541","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","165333","2020-10-21","18:00:00",""
"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","170139","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","176428","2020-10-21","18:00:00",""
"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","170445","2020-10-21","18:00:00",""
"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","170445","2020-10-21","18:00:00",""
"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","170586","2020-10-21","18:00:00",""
"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","170653","2020-10-21","18:00:00",""
"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","171405","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171440","2020-10-21","18:00:00",""
"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","171442","2020-10-21","18:00:00",""
"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","171532","2020-10-21","18:00:00",""
"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","171578","2020-10-21","18:00:00",""
"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","171772","2020-10-21","18:00:00",""
"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","171598","2020-10-21","18:00:00",""
"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","171598","2020-10-21","18:00:00",""
"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","230985","2020-10-21","18:00:00",""
"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","230985","2020-10-21","18:00:00",""
"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","230985","2020-10-21","18:00:00",""
"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","230988","2020-10-21","18:00:00",""
"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","230988","2020-10-21","18:00:00",""
"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","230988","2020-10-21","18:00:00",""
"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","230988","2020-10-21","18:00:00",""
"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","230990","2020-10-21","18:00:00",""
"7235171","33.707","0.002","16.5828","0.0012","19.1233","0.0011","90","","90","","90","","10689.1","1.2","105.5","1","105.5","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C126 H152 Si6 -","- C126 H152 Si6 -","- C504 H608 Si24 -","4","1","","Zunzhi Wang; Rongjin Li; Yulan Chen; Yuan-Zhi Tan; Zeyi Tu; Xuejiao J. Gao; Huanli Dong; Yuanping Yi; Yu Zhang; Wenping Hu; Klaus Mullen; Long Chen","A novel angularly fused bistetracene: facile synthesis, crystal packing and single-crystal field effect transistors","Journal of Materials Chemistry C","2017","5","","1308","1312","10.1039/C6TC04365H","","x-ray","1.54184","CuKα","","0.2881","0.11","","","0.201","0.2958","","","","","","1.051","","","","has coordinates,has disorder","230990","2020-10-21","18:00:00",""
"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","231032","2020-10-21","18:00:00",""
"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","231032","2020-10-21","18:00:00",""
"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","231034","2020-10-21","18:00:00",""
"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","231034","2020-10-21","18:00:00",""
"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","231039","2020-10-21","18:00:00",""
"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","231043","2020-10-21","18:00:00",""
"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","231047","2020-10-21","18:00:00",""
"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","231050","2020-10-21","18:00:00",""
"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","231050","2020-10-21","18:00:00",""
"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","233256","2020-10-21","18:00:00",""
"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","233261","2020-10-21","18:00:00",""
"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","233261","2020-10-21","18:00:00",""
"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","233266","2020-10-21","18:00:00",""
"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","233266","2020-10-21","18:00:00",""
"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","233266","2020-10-21","18:00:00",""
"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","233266","2020-10-21","18:00:00",""
"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","233268","2020-10-21","18:00:00",""
"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","233731","2020-10-21","18:00:00",""
"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","233733","2020-10-21","18:00:00",""
"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","233738","2020-10-21","18:00:00",""
"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","233738","2020-10-21","18:00:00",""
"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","233738","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233742","2020-10-21","18:00:00",""
"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","233744","2020-10-21","18:00:00",""
"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","233747","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233750","2020-10-21","18:00:00",""
"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","233753","2020-10-21","18:00:00",""
"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","233757","2020-10-21","18:00:00",""
"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","233758","2020-10-21","18:00:00",""
"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","233760","2020-10-21","18:00:00",""
"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","233761","2020-10-21","18:00:00",""
"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","233761","2020-10-21","18:00:00",""
"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","233761","2020-10-21","18:00:00",""
"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","233761","2020-10-21","18:00:00",""
"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","233763","2020-10-21","18:00:00",""
"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","233763","2020-10-21","18:00:00",""
"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","233771","2020-10-21","18:00:00",""
"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","233771","2020-10-21","18:00:00",""
"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","233774","2020-10-21","18:00:00",""
"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","233776","2020-10-21","18:00:00",""
"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","233776","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","","","","- C88 H108 B4 F8 N8 O8 S4 -","- C88 H108 B4 F8 N8 O8 S4 -","- C88 H108 B4 F8 N8 O8 S4 -","1","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","","0.1478","0.0751","","","0.1772","0.1993","","","","","","0.96","","","","has coordinates","233782","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","233782","2020-10-21","18:00:00",""
"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","233784","2020-10-21","18:00:00",""
"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","233786","2020-10-21","18:00:00",""
"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","233794","2020-10-21","18:00:00",""
"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","233800","2020-10-21","18:00:00",""
"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","233802","2020-10-21","18:00:00",""
"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","233802","2020-10-21","18:00:00",""
"7235977","14.254","0.002","13.5629","0.0019","6.4554","0.0009","90","","90","","90","","1248","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","1","","Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël","Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes","RSC Advances","2015","5","109","89375","","10.1039/C5RA17419H","","","0.71073","MoKα","","0.1318","0.0764","","","0.2216","0.2688","","","","","","1.037","","","","has coordinates","233802","2020-10-21","18:00:00",""
"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","233806","2020-10-21","18:00:00",""
"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","233807","2020-10-21","18:00:00",""
"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","233822","2020-10-21","18:00:00",""
"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","233822","2020-10-21","18:00:00",""
"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","233822","2020-10-21","18:00:00",""
"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","233822","2020-10-21","18:00:00",""
"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","233824","2020-10-21","18:00:00",""
"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","233824","2020-10-21","18:00:00",""
"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","233828","2020-10-21","18:00:00",""
"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","233830","2020-10-21","18:00:00",""
"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","233832","2020-10-21","18:00:00",""
"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","233832","2020-10-21","18:00:00",""
"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","233832","2020-10-21","18:00:00",""
"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","233832","2020-10-21","18:00:00",""
"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","233832","2020-10-21","18:00:00",""
"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","233835","2020-10-21","18:00:00",""
"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","233835","2020-10-21","18:00:00",""
"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","233836","2020-10-21","18:00:00",""
"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","233838","2020-10-21","18:00:00",""
"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","233847","2020-10-21","18:00:00",""
"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","235448","2020-10-21","18:00:00",""
"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","235448","2020-10-21","18:00:00",""
"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","235448","2020-10-21","18:00:00",""
"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","235448","2020-10-21","18:00:00",""
"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","235457","2020-10-21","18:00:00",""
"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","235457","2020-10-21","18:00:00",""
"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","235480","2020-10-21","18:00:00",""
"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","235480","2020-10-21","18:00:00",""
"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","235480","2020-10-21","18:00:00",""
"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","235480","2020-10-21","18:00:00",""
"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","235480","2020-10-21","18:00:00",""
"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","235480","2020-10-21","18:00:00",""
"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","235487","2020-10-21","18:00:00",""
"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","235511","2020-10-21","18:00:00",""
"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","235511","2020-10-21","18:00:00",""
"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","235511","2020-10-21","18:00:00",""
"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","235527","2020-10-21","18:00:00",""
"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","235529","2020-10-21","18:00:00",""
"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","235534","2020-10-21","18:00:00",""
"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","235536","2020-10-21","18:00:00",""
"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","235539","2020-10-21","18:00:00",""
"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","235544","2020-10-21","18:00:00",""
"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","235556","2020-10-21","18:00:00",""
"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","235556","2020-10-21","18:00:00",""
"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","235556","2020-10-21","18:00:00",""
"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","235558","2020-10-21","18:00:00",""
"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","235561","2020-10-21","18:00:00",""
"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","235572","2020-10-21","18:00:00",""
"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","235572","2020-10-21","18:00:00",""
"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","235576","2020-10-21","18:00:00",""
"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","235578","2020-10-21","18:00:00",""
"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","235578","2020-10-21","18:00:00",""
"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","236277","2020-10-21","18:00:00",""
"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","236285","2020-10-21","18:00:00",""
"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","236296","2020-10-21","18:00:00",""
"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","236300","2020-10-21","18:00:00",""
"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","236300","2020-10-21","18:00:00",""
"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","236303","2020-10-21","18:00:00",""
"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","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","1","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","","0.0645","0.0554","","","0.1559","0.1699","","","","","","1.022","","","","has coordinates","236303","2020-10-21","18:00:00",""
"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","236303","2020-10-21","18:00:00",""
"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","236303","2020-10-21","18:00:00",""
"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","236303","2020-10-21","18:00:00",""
"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","236303","2020-10-21","18:00:00",""
"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","236303","2020-10-21","18:00:00",""
"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","236314","2020-10-21","18:00:00",""
"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","236314","2020-10-21","18:00:00",""
"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","236314","2020-10-21","18:00:00",""
"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","236322","2020-10-21","18:00:00",""
"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","236322","2020-10-21","18:00:00",""
"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","236346","2020-10-21","18:00:00",""
"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","295937","2024-11-15","14:43:14",""
"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","236352","2020-10-21","18:00:00",""
"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","236352","2020-10-21","18:00:00",""
"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","236352","2020-10-21","18:00:00",""
"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","236352","2020-10-21","18:00:00",""
"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","236359","2020-10-21","18:00:00",""
"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","236359","2020-10-21","18:00:00",""
"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","236365","2020-10-21","18:00:00",""
"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","236365","2020-10-21","18:00:00",""
"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","236365","2020-10-21","18:00:00",""
"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","236365","2020-10-21","18:00:00",""
"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","236365","2020-10-21","18:00:00",""
"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","236365","2020-10-21","18:00:00",""
"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","236367","2020-10-21","18:00:00",""
"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","236370","2020-10-21","18:00:00",""
"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","236370","2020-10-21","18:00:00",""
"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","236370","2020-10-21","18:00:00",""
"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","236370","2020-10-21","18:00:00",""
"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","236387","2020-10-21","18:00:00",""
"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","236388","2020-10-21","18:00:00",""
"7236655","10.5854","0.0016","12.2457","0.0018","16.403","0.002","90","","90","","90","","2126.2","0.5","298","2","298.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Co N6 O6 S -","- C18 H18 Co N6 O6 S -","- C72 H72 Co4 N24 O24 S4 -","4","1","","Wang, Fan; Zhuo, Hong-Yan; Han, Xiguang; Chen, Wen-Miao; Sun, Di","Foam-like CoO@N,S-codoped carbon composites derived from a well-designed N,S-rich Co-MOF for lithium-ion batteries","Journal of Materials Chemistry A","2017","5","44","22964","","10.1039/C7TA07971K","","","0.71073","MoKα","","0.0339","0.0294","","","0.076","0.0789","","","","","","1.031","","","","has coordinates","236390","2020-10-21","18:00:00",""
"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","288178","2023-12-08","09:51:08",""
"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","236426","2020-10-21","18:00:00",""
"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","236434","2020-10-21","18:00:00",""
"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","236436","2020-10-21","18:00:00",""
"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","236439","2020-10-21","18:00:00",""
"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","236439","2020-10-21","18:00:00",""
"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","236445","2020-10-21","18:00:00",""
"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","236447","2020-10-21","18:00:00",""
"7236702","9.7157","0.0001","23.9775","0.0004","16.191","0.0002","90","","90","","90","","3771.83","0.09","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H82 B20 Ir2 N6 O -","- C76 H82 B20 Ir2 N6 O -","- C152 H164 B40 Ir4 N12 O2 -","2","0.5","","Van Nghia, Nguyen; Park, Sunghee; An, Youngjoon; Lee, Junseong; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Impact of the number of o-carboranyl ligands on the photophysical and electroluminescent properties of iridium(iii) cyclometalates","Journal of Materials Chemistry C","2017","5","12","3024","","10.1039/C7TC00247E","","","0.71073","MoKα","","0.0483","0.0369","","","0.0544","0.0569","","","","","","1.089","","","","has coordinates,has disorder","236450","2020-10-21","18:00:00",""
"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","236452","2020-10-21","18:00:00",""
"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","236454","2020-10-21","18:00:00",""
"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","236458","2020-10-21","18:00:00",""
"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","236458","2020-10-21","18:00:00",""
"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","236458","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236462","2020-10-21","18:00:00",""
"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","236464","2020-10-21","18:00:00",""
"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","236468","2020-10-21","18:00:00",""
"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","236468","2020-10-21","18:00:00",""
"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","236468","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236474","2020-10-21","18:00:00",""
"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","236481","2020-10-21","18:00:00",""
"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","236481","2020-10-21","18:00:00",""
"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","236483","2020-10-21","18:00:00",""
"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","236501","2020-10-21","18:00:00",""
"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","236508","2020-10-21","18:00:00",""
"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","236508","2020-10-21","18:00:00",""
"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","236510","2020-10-21","18:00:00",""
"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","236512","2020-10-21","18:00:00",""
"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","236512","2020-10-21","18:00:00",""
"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","236512","2020-10-21","18:00:00",""
"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","236512","2020-10-21","18:00:00",""
"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","236512","2020-10-21","18:00:00",""
"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","236515","2020-10-21","18:00:00",""
"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","236515","2020-10-21","18:00:00",""
"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","236515","2020-10-21","18:00:00",""
"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","236515","2020-10-21","18:00:00",""
"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","236518","2020-10-21","18:00:00",""
"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","236518","2020-10-21","18:00:00",""
"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","236518","2020-10-21","18:00:00",""
"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","236518","2020-10-21","18:00:00",""
"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","236518","2020-10-21","18:00:00",""
"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","236518","2020-10-21","18:00:00",""
"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","236531","2020-10-21","18:00:00",""
"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","236533","2020-10-21","18:00:00",""
"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","236535","2020-10-21","18:00:00",""
"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","236547","2020-10-21","18:00:00",""
"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","236550","2020-10-21","18:00:00",""
"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","236550","2020-10-21","18:00:00",""
"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","236550","2020-10-21","18:00:00",""
"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","236550","2020-10-21","18:00:00",""
"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","236558","2020-10-21","18:00:00",""
"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","236563","2020-10-21","18:00:00",""
"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","236567","2020-10-21","18:00:00",""
"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","236570","2020-10-21","18:00:00",""
"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","236570","2020-10-21","18:00:00",""
"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","236570","2020-10-21","18:00:00",""
"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","236570","2020-10-21","18:00:00",""
"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","236570","2020-10-21","18:00:00",""
"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","236570","2020-10-21","18:00:00",""
"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","236570","2020-10-21","18:00:00",""
"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","236585","2020-10-21","18:00:00",""
"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","236592","2020-10-21","18:00:00",""
"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","236592","2020-10-21","18:00:00",""
"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","236592","2020-10-21","18:00:00",""
"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","236592","2020-10-21","18:00:00",""
"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","236592","2020-10-21","18:00:00",""
"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","236592","2020-10-21","18:00:00",""
"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","236596","2020-10-21","18:00:00",""
"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","236596","2020-10-21","18:00:00",""
"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","236599","2020-10-21","18:00:00",""
"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","236599","2020-10-21","18:00:00",""
"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","236610","2020-10-21","18:00:00",""
"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","236612","2020-10-21","18:00:00",""
"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","236612","2020-10-21","18:00:00",""
"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","236612","2020-10-21","18:00:00",""
"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","236624","2020-10-21","18:00:00",""
"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","236627","2020-10-21","18:00:00",""
"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","236629","2020-10-21","18:00:00",""
"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","236629","2020-10-21","18:00:00",""
"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","236631","2020-10-21","18:00:00",""
"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","236635","2020-10-21","18:00:00",""
"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","","","","- C88 H86 N2 O8 -","- C88 H86 N2 O8 -","- C88 H86 N2 O8 -","1","0.5","","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","236644","2020-10-21","18:00:00",""
"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","236644","2020-10-21","18:00:00",""
"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","236644","2020-10-21","18:00:00",""
"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","236654","2020-10-21","18:00:00",""
"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","236656","2020-10-21","18:00:00",""
"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","236656","2020-10-21","18:00:00",""
"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","236658","2020-10-21","18:00:00",""
"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","236665","2020-10-21","18:00:00",""
"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","236665","2020-10-21","18:00:00",""
"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","236671","2020-10-21","18:00:00",""
"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","236671","2020-10-21","18:00:00",""
"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","236673","2020-10-21","18:00:00",""
"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","236673","2020-10-21","18:00:00",""
"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","236673","2020-10-21","18:00:00",""
"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","236673","2020-10-21","18:00:00",""
"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","236675","2020-10-21","18:00:00",""
"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","236675","2020-10-21","18:00:00",""
"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","236681","2020-10-21","18:00:00",""
"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","236681","2020-10-21","18:00:00",""
"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","236681","2020-10-21","18:00:00",""
"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","236691","2020-10-21","18:00:00",""
"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","236700","2020-10-21","18:00:00",""
"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","211175","2020-10-21","18:00:00",""
"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","211175","2020-10-21","18:00:00",""
"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","211175","2020-10-21","18:00:00",""
"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","211175","2020-10-21","18:00:00",""
"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","211175","2020-10-21","18:00:00",""
"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","283857","2023-05-18","09:26:08",""
"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","283658","2023-05-10","17:55:46",""
"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",""